 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_150_STD_LCPBE_augccpVDZ.in
 Output=23_tartaric_acid_150_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/23_tartaric_acid_150_STD/Gau-16741.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/23_tartaric_acid_150_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     16746.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                28-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=23_tartaric_acid_150_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=037300
 0000,3/108=0373000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=373000000,108=373000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Jul 28 19:15:44 2021, MaxMem=  5637144576 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "23_tartaric_acid_150_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.596150000000     -0.609276000000     -0.011079000000
  O                                                 1.257326000000     -1.762731000000      0.145721000000
  O                                                 2.831361000000     -0.202064000000      0.214747000000
  C                                                 0.617545000000      0.467428000000     -0.461680000000
  C                                                -0.633255000000      0.485066000000      0.462956000000
  C                                                -1.719874000000     -0.496691000000     -0.007213000000
  O                                                -2.823722000000     -0.072777000000     -0.249294000000
  O                                                 1.278067000000      1.713093000000     -0.432141000000
  O                                                -1.162976000000      1.785444000000      0.460059000000
  O                                                -1.391913000000     -1.767297000000     -0.127310000000
  H                                                 0.312245000000      0.226360000000     -1.487600000000
  H                                                -0.333287000000      0.217346000000      1.482353000000
  H                                                -0.419035000000     -1.910789000000      0.023248000000
  H                                                 2.849430000000      0.766125000000      0.077766000000
  H                                                 0.603319000000      2.381880000000     -0.229208000000
  H                                                -2.081215000000      1.690573000000      0.141279000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Jul 28 19:15:45 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.596150   -0.609276   -0.011079
      2          8           0        1.257326   -1.762731    0.145721
      3          8           0        2.831361   -0.202064    0.214747
      4          6           0        0.617545    0.467428   -0.461680
      5          6           0       -0.633255    0.485066    0.462956
      6          6           0       -1.719874   -0.496691   -0.007213
      7          8           0       -2.823722   -0.072777   -0.249294
      8          8           0        1.278067    1.713093   -0.432141
      9          8           0       -1.162976    1.785444    0.460059
     10          8           0       -1.391913   -1.767297   -0.127310
     11          1           0        0.312245    0.226360   -1.487600
     12          1           0       -0.333287    0.217346    1.482353
     13          1           0       -0.419035   -1.910789    0.023248
     14          1           0        2.849430    0.766125    0.077766
     15          1           0        0.603319    2.381880   -0.229208
     16          1           0       -2.081215    1.690573    0.141279
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.212372   0.000000
     3  O    1.320063   2.217664   0.000000
     4  C    1.523155   2.398305   2.409721   0.000000
     5  C    2.528347   2.954239   3.540808   1.555559   0.000000
     6  C    3.317937   3.238822   4.566159   2.568967   1.538066
     7  O    4.458682   4.434742   5.675563   3.489878   2.369944
     8  O    2.381568   3.523593   2.549316   1.410264   2.441803
     9  O    3.683671   4.306532   4.468232   2.399380   1.404135
    10  O    3.206718   2.663275   4.516968   3.023859   2.448901
    11  H    2.127631   2.741787   3.070420   1.097194   2.183018
    12  H    2.576115   2.870077   3.434782   2.178506   1.095822
    13  H    2.399184   1.687337   3.677157   2.639237   2.445272
    14  H    1.862883   2.989068   0.977998   2.315498   3.515176
    15  H    3.159163   4.212612   3.440644   1.928567   2.367722
    16  H    4.339992   4.803247   5.265062   3.023731   1.911364
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.206974   0.000000
     8  O    3.748514   4.477437   0.000000
     9  O    2.395124   2.591186   2.599990   0.000000
    10  O    1.317733   2.221791   4.397139   3.608238   0.000000
    11  H    2.616076   3.384845   2.063294   2.898344   2.954524
    12  H    2.156682   3.047136   2.915306   2.047535   2.765956
    13  H    1.921662   3.038929   4.027413   3.795575   0.994861
    14  H    4.741357   5.744160   1.904189   4.157471   4.944621
    15  H    3.705763   4.215490   0.971464   1.987617   4.605106
    16  H    2.221878   1.952759   3.407946   0.976619   3.536120
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.039311   0.000000
    13  H    2.717506   2.581724   0.000000
    14  H    3.029691   3.521890   4.225128   0.000000
    15  H    2.512875   2.914083   4.419949   2.783866   0.000000
    16  H    3.244352   2.650307   3.968196   5.016961   2.796764
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.36D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.596150   -0.609276   -0.011079
      2          8           0        1.257327   -1.762731    0.145721
      3          8           0        2.831361   -0.202063    0.214747
      4          6           0        0.617545    0.467428   -0.461680
      5          6           0       -0.633255    0.485066    0.462956
      6          6           0       -1.719874   -0.496691   -0.007213
      7          8           0       -2.823722   -0.072778   -0.249294
      8          8           0        1.278067    1.713093   -0.432141
      9          8           0       -1.162976    1.785444    0.460059
     10          8           0       -1.391912   -1.767297   -0.127310
     11          1           0        0.312245    0.226360   -1.487600
     12          1           0       -0.333287    0.217346    1.482353
     13          1           0       -0.419034   -1.910789    0.023248
     14          1           0        2.849430    0.766126    0.077766
     15          1           0        0.603318    2.381880   -0.229208
     16          1           0       -2.081215    1.690572    0.141279
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.0846324           1.0823921           0.7513491
 Leave Link  202 at Wed Jul 28 19:15:45 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 328 were deleted.
 There are   304 symmetry adapted cartesian basis functions of A   symmetry.
 There are   284 symmetry adapted basis functions of A   symmetry.
   284 basis functions,   542 primitive gaussians,   304 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       582.5656445576 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.373000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.373000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Wed Jul 28 19:15:47 2021, MaxMem=  5637144576 cpu:              13.8 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   284 RedAO= T EigKep=  2.25D-05  NBF=   284
 NBsUse=   284 1.00D-06 EigRej= -1.00D+00 NBFU=   284
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   304   304   304   304   304 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Wed Jul 28 19:15:49 2021, MaxMem=  5637144576 cpu:               9.6 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Jul 28 19:15:50 2021, MaxMem=  5637144576 cpu:               3.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_150_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Jul 28 19:15:51 2021, MaxMem=  5637144576 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636954416 LenY=  5636861559
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -605.918855255016    
 DIIS: error= 1.28D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -605.918855255016     IErMin= 1 ErrMin= 1.28D-04
 ErrMax= 1.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-05 BMatP= 1.40D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.28D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=7.67D-05 MaxDP=2.90D-03              OVMax= 1.04D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.08D-05    CP:  1.00D+00
 E= -605.918878161648     Delta-E=       -0.000022906632 Rises=F Damp=F
 DIIS: error= 5.98D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -605.918878161648     IErMin= 2 ErrMin= 5.98D-05
 ErrMax= 5.98D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.64D-06 BMatP= 1.40D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.200D+00 0.800D+00
 Coeff:      0.200D+00 0.800D+00
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=1.84D-05 MaxDP=7.29D-04 DE=-2.29D-05 OVMax= 4.08D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.84D-05    CP:  1.00D+00  1.01D+00
 E= -605.918880279965     Delta-E=       -0.000002118318 Rises=F Damp=F
 DIIS: error= 3.80D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -605.918880279965     IErMin= 3 ErrMin= 3.80D-05
 ErrMax= 3.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-06 BMatP= 4.64D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.114D+00 0.429D+00 0.685D+00
 Coeff:     -0.114D+00 0.429D+00 0.685D+00
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=9.24D-06 MaxDP=3.71D-04 DE=-2.12D-06 OVMax= 2.31D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.67D-06    CP:  1.00D+00  1.09D+00  9.13D-01
 E= -605.918881946003     Delta-E=       -0.000001666038 Rises=F Damp=F
 DIIS: error= 7.01D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -605.918881946003     IErMin= 4 ErrMin= 7.01D-06
 ErrMax= 7.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.68D-08 BMatP= 1.97D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.360D-01 0.957D-01 0.193D+00 0.747D+00
 Coeff:     -0.360D-01 0.957D-01 0.193D+00 0.747D+00
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=1.67D-06 MaxDP=1.07D-04 DE=-1.67D-06 OVMax= 9.56D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.35D-06    CP:  1.00D+00  1.09D+00  9.55D-01  1.09D+00
 E= -605.918881976788     Delta-E=       -0.000000030785 Rises=F Damp=F
 DIIS: error= 5.00D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -605.918881976788     IErMin= 5 ErrMin= 5.00D-06
 ErrMax= 5.00D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-08 BMatP= 3.68D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.688D-02-0.511D-01-0.572D-01 0.419D+00 0.682D+00
 Coeff:      0.688D-02-0.511D-01-0.572D-01 0.419D+00 0.682D+00
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=8.71D-07 MaxDP=4.26D-05 DE=-3.08D-08 OVMax= 3.27D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.84D-07    CP:  1.00D+00  1.09D+00  9.74D-01  1.17D+00  9.27D-01
 E= -605.918881991818     Delta-E=       -0.000000015031 Rises=F Damp=F
 DIIS: error= 4.05D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -605.918881991818     IErMin= 6 ErrMin= 4.05D-07
 ErrMax= 4.05D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.45D-10 BMatP= 1.72D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.414D-02-0.169D-01-0.266D-01 0.382D-01 0.105D+00 0.896D+00
 Coeff:      0.414D-02-0.169D-01-0.266D-01 0.382D-01 0.105D+00 0.896D+00
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=2.44D-07 MaxDP=9.21D-06 DE=-1.50D-08 OVMax= 1.20D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.09D-07    CP:  1.00D+00  1.09D+00  9.78D-01  1.17D+00  9.53D-01
                    CP:  1.12D+00
 E= -605.918881992557     Delta-E=       -0.000000000739 Rises=F Damp=F
 DIIS: error= 2.72D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -605.918881992557     IErMin= 7 ErrMin= 2.72D-07
 ErrMax= 2.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.79D-11 BMatP= 3.45D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.213D-03 0.247D-02 0.134D-04-0.429D-01-0.770D-01 0.277D+00
 Coeff-Com:  0.840D+00
 Coeff:      0.213D-03 0.247D-02 0.134D-04-0.429D-01-0.770D-01 0.277D+00
 Coeff:      0.840D+00
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=1.01D-07 MaxDP=3.31D-06 DE=-7.39D-10 OVMax= 3.95D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.42D-08    CP:  1.00D+00  1.09D+00  9.77D-01  1.17D+00  9.77D-01
                    CP:  1.24D+00  9.80D-01
 E= -605.918881992706     Delta-E=       -0.000000000149 Rises=F Damp=F
 DIIS: error= 6.47D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -605.918881992706     IErMin= 8 ErrMin= 6.47D-08
 ErrMax= 6.47D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.11D-12 BMatP= 8.79D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.432D-03 0.232D-02 0.266D-02-0.961D-02-0.285D-01-0.463D-01
 Coeff-Com:  0.112D+00 0.968D+00
 Coeff:     -0.432D-03 0.232D-02 0.266D-02-0.961D-02-0.285D-01-0.463D-01
 Coeff:      0.112D+00 0.968D+00
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=3.53D-08 MaxDP=1.41D-06 DE=-1.49D-10 OVMax= 1.94D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.87D-08    CP:  1.00D+00  1.09D+00  9.76D-01  1.17D+00  9.77D-01
                    CP:  1.26D+00  1.05D+00  1.25D+00
 E= -605.918881992725     Delta-E=       -0.000000000019 Rises=F Damp=F
 DIIS: error= 3.65D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -605.918881992725     IErMin= 9 ErrMin= 3.65D-08
 ErrMax= 3.65D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.61D-12 BMatP= 6.11D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.209D-03 0.867D-03 0.116D-02-0.585D-03-0.737D-02-0.408D-01
 Coeff-Com: -0.180D-01 0.440D+00 0.625D+00
 Coeff:     -0.209D-03 0.867D-03 0.116D-02-0.585D-03-0.737D-02-0.408D-01
 Coeff:     -0.180D-01 0.440D+00 0.625D+00
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=8.80D-09 MaxDP=6.19D-07 DE=-1.91D-11 OVMax= 4.10D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -605.918881993     A.U. after    9 cycles
            NFock=  9  Conv=0.88D-08     -V/T= 2.0050
 KE= 6.028955576204D+02 PE=-2.589906445957D+03 EE= 7.985263617864D+02
 Leave Link  502 at Wed Jul 28 19:18:30 2021, MaxMem=  5637144576 cpu:            1253.1 elap:             159.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   284
 NBasis=   284 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    284 NOA=    39 NOB=    39 NVA=   245 NVB=   245

 **** Warning!!: The largest alpha MO coefficient is  0.38479091D+02

 Leave Link  801 at Wed Jul 28 19:18:31 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4951 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.59D-13 8.33D-09 XBig12= 1.00D+00 2.06D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.59D-13 8.33D-09 XBig12= 2.33D-01 5.21D-02.
     11 vectors produced by pass  2 Test12= 1.59D-13 8.33D-09 XBig12= 4.39D-02 4.18D-02.
     11 vectors produced by pass  3 Test12= 1.59D-13 8.33D-09 XBig12= 5.40D-03 1.19D-02.
     11 vectors produced by pass  4 Test12= 1.59D-13 8.33D-09 XBig12= 5.78D-04 3.52D-03.
     11 vectors produced by pass  5 Test12= 1.59D-13 8.33D-09 XBig12= 3.30D-05 6.93D-04.
     11 vectors produced by pass  6 Test12= 1.59D-13 8.33D-09 XBig12= 8.80D-07 1.33D-04.
     11 vectors produced by pass  7 Test12= 1.59D-13 8.33D-09 XBig12= 2.17D-08 2.04D-05.
     11 vectors produced by pass  8 Test12= 1.59D-13 8.33D-09 XBig12= 5.38D-10 2.20D-06.
     11 vectors produced by pass  9 Test12= 1.59D-13 8.33D-09 XBig12= 1.23D-11 3.01D-07.
      8 vectors produced by pass 10 Test12= 1.59D-13 8.33D-09 XBig12= 2.19D-13 5.04D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.864134D+02
      2  0.167852D-01  0.777673D+02
      3  0.244961D+01 -0.492775D+00  0.531759D+02
 Isotropic polarizability for W=    0.088559       72.45 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.107656D+02  0.222729D+02 -0.454805D+01
      2   0.460615D+01 -0.132799D+02  0.374875D+01
      3   0.615948D+01 -0.899297D+01  0.799298D+00
      4   0.180591D+02 -0.275220D+01 -0.113019D+02
      5  -0.413352D+01 -0.873755D+01 -0.286717D+01
      6  -0.751282D+01  0.816233D+00  0.913312D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.400488D+01 -0.812400D+00 -0.525247D+01
      2  -0.156559D+01 -0.476349D+01 -0.295734D+01
      3  -0.141240D+02 -0.104772D+01  0.122734D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.256437D+01 -0.293251D+01 -0.181261D+02
      2  -0.414526D+00 -0.378910D+01 -0.902664D+01
      3  -0.421379D+01  0.735835D+01  0.122473D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.112698D+01  0.176117D+00  0.205164D+01
      2   0.176117D+00  0.166883D+01  0.792729D+00
      3   0.205164D+01  0.792729D+00 -0.731226D-01
 OR G Eigenvalues:    -2.7463     0.8702     2.3449  Iso=    -0.1562
 Eigenvectors:
   (1)   0.779030   0.080566  -0.621789
   (2)  -0.509011   0.660312  -0.552174
   (3)   0.366088   0.746658   0.555411
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1562 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -52.79 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40470 ScalPx= 6.39D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40470 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.83D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.65D-14 2.78D-09 XBig12= 1.00D+00 3.39D-01.
     30 vectors produced by pass  1 Test12= 2.65D-14 2.78D-09 XBig12= 8.79D-02 3.92D-02.
     30 vectors produced by pass  2 Test12= 2.65D-14 2.78D-09 XBig12= 3.88D-03 9.60D-03.
     30 vectors produced by pass  3 Test12= 2.65D-14 2.78D-09 XBig12= 6.14D-05 1.14D-03.
     30 vectors produced by pass  4 Test12= 2.65D-14 2.78D-09 XBig12= 1.37D-06 1.72D-04.
     30 vectors produced by pass  5 Test12= 2.65D-14 2.78D-09 XBig12= 2.33D-08 1.48D-05.
     30 vectors produced by pass  6 Test12= 2.65D-14 2.78D-09 XBig12= 2.27D-10 1.32D-06.
     30 vectors produced by pass  7 Test12= 2.65D-14 2.78D-09 XBig12= 1.69D-12 1.16D-07.
      8 vectors produced by pass  8 Test12= 2.65D-14 2.78D-09 XBig12= 1.17D-14 8.21D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   248 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40470 ScalPx= 1.20D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40470 ScalPx= 1.20D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40470 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.20D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.864134D+02  0.167852D-01  0.244961D+01
      2   0.167852D-01  0.777673D+02 -0.492775D+00
      3   0.244961D+01 -0.492775D+00  0.531759D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.400488D+01 -0.812400D+00 -0.525247D+01
      2  -0.156559D+01 -0.476349D+01 -0.295734D+01
      3  -0.141240D+02 -0.104772D+01  0.122734D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.107656D+02  0.222729D+02 -0.454805D+01
      2   0.460615D+01 -0.132799D+02  0.374875D+01
      3   0.615948D+01 -0.899297D+01  0.799298D+00
      4   0.180591D+02 -0.275220D+01 -0.113019D+02
      5  -0.413352D+01 -0.873755D+01 -0.286717D+01
      6  -0.751282D+01  0.816233D+00  0.913312D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.198854D+01 -0.655810D+00 -0.749397D-01  0.270592D+01  0.117057D+01
      2  -0.655810D+00  0.202168D+01 -0.244997D+00  0.117057D+01  0.500109D+01
      3  -0.749397D-01 -0.244997D+00  0.347837D+00 -0.204552D+00 -0.333417D+00
                 6             7             8             9            10 
      1  -0.204552D+00 -0.174402D+01  0.233240D+00  0.258706D+00 -0.244133D+01
      2  -0.333417D+00  0.233240D+00 -0.710402D+00 -0.586418D-01 -0.212821D+01
      3  -0.576014D-01  0.258706D+00 -0.586418D-01 -0.815279D+00  0.221041D+00
                11            12            13            14            15 
      1  -0.212821D+01  0.221041D+00 -0.571415D+01 -0.263247D+00 -0.654657D-01
      2  -0.811878D+00  0.929235D-01 -0.263247D+00 -0.115702D+02  0.625930D+00
      3   0.929235D-01 -0.454444D+00 -0.654657D-01  0.625930D+00 -0.192005D+01
                16            17            18            19            20 
      1   0.949162D+00  0.672066D-01 -0.259382D+00  0.886248D+01  0.271467D+00
      2   0.672066D-01  0.823702D+00 -0.264462D+01  0.271467D+00  0.690453D+00
      3  -0.259382D+00 -0.264462D+01  0.919543D+00  0.511832D+00  0.103534D+00
                21            22            23            24            25 
      1   0.511832D+00 -0.199277D+01  0.129964D+01 -0.173518D+00  0.169793D+01
      2   0.103534D+00  0.129964D+01 -0.310670D+01  0.662633D+00 -0.977253D-01
      3   0.125892D+01 -0.173518D+00  0.662633D+00 -0.144687D+00  0.234901D+01
                26            27            28            29            30 
      1  -0.977253D-01  0.234901D+01  0.516939D+01 -0.959351D+00 -0.725141D+00
      2   0.785913D+00  0.423926D+00 -0.959351D+00 -0.703578D+00  0.425074D+00
      3   0.423926D+00  0.986952D+00 -0.725141D+00  0.425074D+00  0.212219D+01
                31            32            33            34            35 
      1  -0.669298D+00 -0.184345D+01  0.855433D+00 -0.243369D+01  0.595389D+00
      2  -0.184345D+01 -0.113709D+01  0.287734D+00  0.595389D+00  0.251744D+00
      3   0.855433D+00  0.287734D+00  0.152027D+01  0.275418D+01  0.469161D+00
                36            37            38            39            40 
      1   0.275418D+01 -0.505683D+01  0.151441D+01  0.674562D+00 -0.159285D+00
      2   0.469161D+00  0.151441D+01  0.116427D+01  0.583558D+00  0.191713D+01
      3   0.452367D+01  0.674562D+00  0.583558D+00 -0.193234D+01  0.107534D+01
                41            42            43            44            45 
      1   0.191713D+01  0.107534D+01  0.257648D+01  0.100550D+00 -0.269297D+01
      2  -0.174847D+00 -0.121093D+00  0.100550D+00  0.171848D+00  0.121524D+01
      3  -0.121093D+00  0.162751D+01 -0.269297D+01  0.121524D+01 -0.435865D+01
                46            47            48            49            50 
      1   0.677401D+01 -0.245821D+01  0.798547D+00 -0.415272D+01 -0.979677D+00
      2  -0.245821D+01  0.104257D+01 -0.114022D+00 -0.979677D+00  0.157517D+00
      3   0.798547D+00 -0.114022D+00  0.529645D+00 -0.805554D+00 -0.139286D+00
                51            52            53            54            55 
      1  -0.805554D+00  0.148478D+01 -0.326368D+00  0.351919D+00 -0.145851D+02
      2  -0.139286D+00 -0.326368D+00  0.583278D+00 -0.724551D+00  0.203941D+01
      3  -0.106198D+01  0.351919D+00 -0.724551D+00  0.845142D+00 -0.121998D+01
                56            57            58            59            60 
      1   0.203941D+01 -0.121998D+01  0.247287D+01 -0.241963D+01  0.325824D+00
      2  -0.372960D+01  0.681536D-01 -0.241963D+01  0.243018D+01 -0.312605D+00
      3   0.681536D-01 -0.213666D+01  0.325824D+00 -0.312605D+00  0.100466D+01
                61            62            63            64            65 
      1  -0.202431D+01  0.302674D+00 -0.339904D+01  0.511835D+01  0.114999D+01
      2   0.302674D+00 -0.897636D+00  0.759006D+00  0.114999D+01  0.400364D+01
      3  -0.339904D+01  0.759006D+00 -0.167060D+01 -0.641819D+00 -0.511642D+00
                66            67            68            69            70 
      1  -0.641819D+00  0.994079D-02  0.278239D+01 -0.311202D+00 -0.573904D+00
      2  -0.511642D+00  0.278239D+01  0.273760D+01 -0.103343D+01 -0.471032D-01
      3   0.594959D+00 -0.311202D+00 -0.103343D+01 -0.130984D+00  0.729209D+00
                71            72            73            74            75 
      1  -0.471032D-01  0.729209D+00  0.250018D+01  0.129329D+01  0.631164D+00
      2  -0.110145D+01  0.123558D+01  0.129329D+01  0.178322D+01 -0.196002D+00
      3   0.123558D+01 -0.731850D+00  0.631164D+00 -0.196002D+00  0.902503D+00
                76            77            78            79            80 
      1   0.168177D+01 -0.870424D+00 -0.714993D+00  0.117121D+01 -0.373054D+00
      2  -0.870424D+00  0.611551D+01  0.123641D+01 -0.373054D+00  0.176195D+01
      3  -0.714993D+00  0.123641D+01  0.661343D+00 -0.336738D+00  0.156870D+01
                81            82            83            84            85 
      1  -0.336738D+00 -0.765846D+01 -0.146645D+01 -0.689210D+00  0.707536D+00
      2   0.156870D+01 -0.146645D+01 -0.153603D+01 -0.552560D-01 -0.509809D+00
      3   0.114140D+01 -0.689210D+00 -0.552560D-01 -0.223201D+00  0.373004D+00
                86            87            88            89            90 
      1  -0.509809D+00  0.373004D+00 -0.127309D+01  0.619692D-01  0.353652D-01
      2  -0.713478D+01 -0.272152D+00  0.619692D-01 -0.710956D+00 -0.196686D+01
      3  -0.272152D+00 -0.110525D+01  0.353652D-01 -0.196686D+01 -0.501364D+00
                91            92            93            94            95 
      1  -0.184053D+01 -0.263601D+00 -0.108537D+01 -0.468865D+00  0.172927D+00
      2  -0.263601D+00 -0.286968D+00 -0.102924D+00  0.172927D+00 -0.505791D+00
      3  -0.108537D+01 -0.102924D+00 -0.162032D+01 -0.301182D+00 -0.116412D+01
                96            97            98            99           100 
      1  -0.301182D+00 -0.150127D+01 -0.315677D+00 -0.104237D+01  0.194157D+01
      2  -0.116412D+01 -0.315677D+00 -0.176844D+01 -0.550616D+00 -0.516240D+00
      3  -0.101710D+01 -0.104237D+01 -0.550616D+00 -0.717868D+01  0.110099D+01
               101           102           103           104           105 
      1  -0.516240D+00  0.110099D+01 -0.654596D+00 -0.105779D+00 -0.281254D+00
      2   0.126340D+00 -0.159818D+00 -0.105779D+00 -0.561518D+00  0.118595D+01
      3  -0.159818D+00  0.157454D+01 -0.281254D+00  0.118595D+01 -0.110587D+01
               106           107           108           109           110 
      1   0.155841D+01 -0.232190D+00  0.128522D+01  0.876107D+01 -0.415649D+00
      2  -0.232190D+00  0.162111D+01 -0.755924D+00 -0.415649D+00  0.138929D+01
      3   0.128522D+01 -0.755924D+00  0.707601D+01  0.468680D+00  0.182817D+00
               111           112           113           114           115 
      1   0.468680D+00 -0.515042D+00  0.329081D+00 -0.403451D-01  0.121127D+01
      2   0.182817D+00  0.329081D+00 -0.172271D+01  0.509476D-01 -0.799446D-01
      3   0.383155D+00 -0.403451D-01  0.509476D-01 -0.537209D+00  0.198035D-02
               116           117           118           119           120 
      1  -0.799446D-01  0.198035D-02  0.142712D+01  0.127821D+01 -0.144396D+00
      2   0.294799D+00 -0.535446D+00  0.127821D+01  0.591658D+00  0.127593D+00
      3  -0.535446D+00  0.821781D-01 -0.144396D+00  0.127593D+00  0.578667D+00
               121           122           123           124           125 
      1   0.378500D+01  0.999157D+00  0.459663D+00 -0.436934D+00  0.118102D+00
      2   0.999157D+00  0.440940D+01 -0.340994D+00  0.118102D+00 -0.409331D+00
      3   0.459663D+00 -0.340994D+00  0.825066D+00  0.570560D+00  0.441195D+00
               126           127           128           129           130 
      1   0.570560D+00 -0.239566D+01  0.550887D+00  0.592847D+00  0.212787D+01
      2   0.441195D+00  0.550887D+00 -0.227510D+01  0.698162D-01 -0.687566D+00
      3   0.913495D-01  0.592847D+00  0.698162D-01 -0.568996D+00 -0.231748D+00
               131           132           133           134           135 
      1  -0.687566D+00 -0.231748D+00  0.754158D+00 -0.699024D-01 -0.596572D-01
      2   0.494948D+01 -0.408591D-03 -0.699024D-01  0.557461D+00  0.744513D+00
      3  -0.408591D-03  0.116739D+01 -0.596572D-01  0.744513D+00 -0.536018D-02
               136           137           138           139           140 
      1  -0.458771D+01  0.765852D+00 -0.418810D+00  0.835829D+00 -0.991315D+00
      2   0.765852D+00 -0.346996D+01 -0.268808D+00 -0.991315D+00  0.112835D+00
      3  -0.418810D+00 -0.268808D+00 -0.135646D+01  0.405488D-01 -0.332108D+00
               141           142           143           144 
      1   0.405488D-01 -0.141618D+01  0.628325D-01 -0.545996D+00
      2  -0.332108D+00  0.628325D-01 -0.125359D+01  0.379335D+00
      3   0.274498D+00 -0.545996D+00  0.379335D+00 -0.404466D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.310742D+00 -0.190547D+01  0.131887D+01 -0.353369D+01  0.269516D+01
      2   0.332991D+01 -0.296809D+01 -0.439601D+01 -0.443043D+01  0.530086D+00
      3  -0.448268D+00 -0.388461D+01  0.204640D+01 -0.679912D+01 -0.542743D+01
                 6             7             8             9            10 
      1   0.742258D+01 -0.354871D+00  0.950439D+01 -0.272881D+01  0.191573D+00
      2   0.724917D-01 -0.133579D+02  0.224652D+01 -0.451236D+01 -0.173876D+00
      3   0.175436D+01  0.448980D+01  0.258103D+01 -0.139906D+01  0.701634D+01
                11            12            13            14            15 
      1   0.212330D+00 -0.486084D+00  0.592814D-01  0.189567D+00 -0.100993D+02
      2   0.622020D+00  0.298862D+01  0.897851D+00  0.863813D+00 -0.183216D+01
      3  -0.975677D+00 -0.920343D+00  0.180397D+02  0.173886D+02 -0.998989D+00
                16            17            18            19            20 
      1   0.146221D+01 -0.435801D+00  0.220364D+01  0.612961D+00  0.706458D+00
      2  -0.262652D+01 -0.527497D+01  0.208559D+01  0.853173D+00  0.572736D+00
      3  -0.280941D+01 -0.114175D+01  0.505314D+01 -0.258413D+01 -0.921527D+01
                21            22            23            24            25 
      1  -0.591681D+00  0.749193D+00 -0.153949D+01 -0.215330D+01  0.163387D+01
      2   0.883077D+01  0.765899D+00  0.190800D+01 -0.142210D+01  0.490984D+01
      3  -0.490192D+00 -0.777658D+00  0.128891D+02 -0.260545D+01 -0.100498D+01
                26            27            28            29            30 
      1   0.168829D+01  0.406604D+00  0.524644D-01  0.124170D+01  0.189764D+01
      2  -0.145190D+01  0.358997D+01 -0.275924D+01  0.997360D+00  0.345804D+01
      3  -0.400212D+01 -0.171389D+01  0.205042D+00 -0.337960D+01 -0.532248D-01
                31            32            33            34            35 
      1   0.321768D+01  0.139165D+00 -0.208844D+01 -0.160714D+01  0.252406D+01
      2   0.251396D+01 -0.449139D+00 -0.176850D+01 -0.299401D+01  0.880038D+00
      3   0.476823D+01  0.176641D+01 -0.105574D+01 -0.134903D+01 -0.348221D+00
                36            37            38            39            40 
      1  -0.159351D+01 -0.134314D+00  0.203625D+01 -0.156880D+01  0.107459D+01
      2   0.345319D+01 -0.148082D+01 -0.930006D+00  0.287772D+01 -0.243047D+01
      3  -0.156139D+00  0.125744D+01 -0.175936D+01 -0.896491D-01  0.613272D+01
                41            42            43            44            45 
      1   0.186395D-01 -0.181894D+01  0.953333D+00  0.206613D+01  0.208338D+01
      2  -0.796299D+00  0.117769D+01 -0.359999D+01 -0.192232D+01  0.331186D+01
      3   0.702922D+00  0.556741D+00  0.207148D+01 -0.814839D+00  0.600628D+00
                46            47            48            49            50 
      1  -0.146307D+00 -0.495510D+01 -0.162505D+01 -0.378620D+01 -0.279959D+01
      2   0.372256D+01  0.281992D+01 -0.770618D+01  0.394100D+01  0.170625D+01
      3  -0.503724D+01  0.721463D+01 -0.117663D+01  0.371596D+01 -0.465036D+01
                51            52            53            54            55 
      1   0.534500D+01  0.186347D+01  0.123772D+02  0.240212D+01 -0.913791D+00
      2   0.245559D+01 -0.129665D+02 -0.202763D+01 -0.536700D+01  0.571556D+00
      3   0.180502D+01 -0.220392D+01  0.525702D+01 -0.789008D+00  0.954461D+01
                56            57            58            59            60 
      1   0.228689D+01  0.666428D+00  0.102002D+01 -0.529664D+00 -0.337873D+01
      2  -0.624816D+00  0.129370D+02 -0.114951D+01 -0.664349D-01 -0.226402D+01
      3  -0.196699D+02  0.591452D+00 -0.305135D+01  0.103942D+02 -0.750137D+00
                61            62            63            64            65 
      1  -0.255836D+01  0.158333D+01 -0.947819D+00  0.179638D+01 -0.204380D+01
      2   0.480177D+01  0.662604D+00  0.509457D+01  0.171405D+01 -0.102401D-01
      3   0.104751D+01 -0.421814D+01  0.335905D+01  0.130055D+02 -0.961918D+01
                66            67            68            69            70 
      1  -0.328148D+01 -0.252523D+01 -0.685312D+00 -0.341401D+01 -0.137451D+01
      2   0.384514D+01 -0.160250D+00 -0.196950D+00  0.189130D+01 -0.202419D+01
      3  -0.169375D+01 -0.319647D+01  0.153578D+01  0.187051D+01 -0.311789D+01
                71            72            73            74            75 
      1   0.307293D+01  0.894358D+00 -0.122057D+01 -0.670155D+00 -0.796073D+00
      2   0.118528D+01 -0.101609D+01 -0.184086D+01 -0.160510D+01  0.123246D+01
      3   0.156881D+01  0.131556D+00  0.121708D+02  0.656335D+01  0.258239D+01
                76            77            78            79            80 
      1  -0.659703D-02  0.269557D+01 -0.580293D+01 -0.135902D+00  0.142797D+01
      2  -0.401896D+00 -0.759426D+00 -0.223196D+01 -0.331545D+01 -0.302207D+00
      3   0.824105D+01  0.723518D+01  0.200881D+00  0.426029D+01  0.344101D+01
                81            82            83            84            85 
      1  -0.157545D+01 -0.140686D+01  0.108575D+01 -0.798138D+00  0.169896D+00
      2  -0.174994D+01  0.504808D-01 -0.136890D+00  0.356860D+01 -0.103991D+01
      3   0.178883D+01  0.217272D+02 -0.558461D+01  0.160738D+01  0.466775D+01
                86            87            88            89            90 
      1  -0.106876D+00 -0.738526D+01 -0.198470D+01 -0.223043D+01 -0.177711D+01
      2   0.187448D+00  0.273213D+00 -0.116163D+01  0.401931D+01  0.134336D+01
      3  -0.809234D+01 -0.806647D+00  0.440091D+01 -0.191242D+01 -0.324767D+01
                91            92            93            94            95 
      1   0.882760D+00  0.933995D+00  0.618403D+00  0.744170D+00  0.802855D+00
      2  -0.228264D+01 -0.504104D+00 -0.524112D+00 -0.121933D+01 -0.118080D+01
      3  -0.552316D+00 -0.334779D+00 -0.265147D+00  0.953591D+00  0.243539D+00
                96            97            98            99           100 
      1   0.554176D+00  0.583727D+00  0.338406D+01  0.210733D+01 -0.949469D+00
      2  -0.572033D+00 -0.351693D+01 -0.283681D+00 -0.420967D+01 -0.213909D+01
      3   0.731351D+00 -0.260120D+00  0.506918D+00 -0.248151D+00  0.178801D+00
               101           102           103           104           105 
      1   0.815954D+00 -0.718414D+00  0.666816D+00 -0.134218D+01  0.518025D+00
      2   0.489058D+00 -0.448702D+00  0.123129D+01 -0.857233D+00  0.581149D+00
      3  -0.768739D+00  0.292515D+00  0.847175D+00 -0.679330D+00  0.726768D+00
               106           107           108           109           110 
      1  -0.798122D+00  0.312410D+01 -0.254230D+01  0.133787D+01 -0.361603D+00
      2  -0.384455D+01  0.722128D+00 -0.407468D+01  0.239461D+00 -0.199966D+00
      3  -0.129493D+00  0.351735D+00 -0.190618D+00 -0.276580D+02  0.687259D+01
               111           112           113           114           115 
      1   0.114699D+01 -0.484608D+00  0.841052D-01 -0.581955D+00  0.425707D+00
      2  -0.276877D+01  0.278158D-01 -0.121705D+00  0.323739D+00 -0.291814D+01
      3  -0.133478D+01  0.429763D+01 -0.209879D+01  0.196129D+00 -0.375233D+01
               116           117           118           119           120 
      1   0.455636D+00  0.296775D+00  0.400580D+00 -0.491611D+00 -0.790613D+00
      2   0.410854D+00 -0.247130D+00 -0.291014D+00  0.317182D-01  0.642997D+00
      3   0.108351D+01 -0.265616D+00 -0.443888D+01 -0.328630D+00 -0.624049D+00
               121           122           123           124           125 
      1  -0.522986D-01  0.202500D+01 -0.396685D+00  0.172186D+00  0.104980D+01
      2   0.747329D+00 -0.162657D+01  0.331161D+01  0.111756D+00  0.192125D+01
      3  -0.751532D+00 -0.193376D+02  0.204124D+01 -0.147644D+00  0.253517D+01
               126           127           128           129           130 
      1  -0.257139D+00 -0.300116D+01  0.144962D+01  0.198463D+01  0.124412D+01
      2  -0.412218D+00 -0.106036D+01  0.291820D+00 -0.769080D+00  0.576765D+00
      3  -0.119306D+01 -0.115791D+02  0.504600D+01  0.268547D+01  0.861057D+01
               131           132           133           134           135 
      1  -0.221306D+01 -0.294888D+01  0.399865D+00 -0.117031D+01 -0.617072D+00
      2  -0.281551D+00  0.762651D+00 -0.117959D+01  0.446880D+00  0.761043D+00
      3  -0.837378D+01 -0.107623D+01  0.357337D+01 -0.153991D+01 -0.104490D+01
               136           137           138           139           140 
      1   0.218714D+01 -0.341212D+00  0.302338D+01  0.217779D+00  0.812538D+00
      2   0.277178D+01  0.908145D+00  0.281967D+01  0.129897D+00  0.114050D+01
      3  -0.128162D+02 -0.905997D+01 -0.291152D+01 -0.249175D+01 -0.348783D+01
               141           142           143           144 
      1  -0.359434D+00  0.132773D+01  0.462430D+00  0.139869D+01
      2  -0.758668D+00  0.475613D+00 -0.124043D+01  0.724630D+00
      3  -0.136493D+01 -0.506854D+01 -0.334780D+01 -0.685094D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.185624D+02  0.224053D+01 -0.402212D+00 -0.617518D+00  0.232011D+02
      2   0.107724D+02 -0.486196D+01  0.220766D+01  0.770651D+00 -0.294423D+02
      3   0.779004D+01  0.262143D+01 -0.180544D+01 -0.153134D+00  0.624119D+01
      4  -0.561333D+01  0.101781D+01 -0.930614D+00 -0.487872D+01  0.858972D+01
      5  -0.212767D+01 -0.189083D+01 -0.753204D+01  0.552018D+00  0.567977D+00
      6   0.485857D+00 -0.192759D+00 -0.448961D+01  0.752629D-02  0.172115D+01
                 6             7             8             9            10 
      1  -0.279178D+01 -0.754394D+01 -0.536353D+01 -0.293910D+01 -0.281099D+01
      2  -0.404778D-01  0.548809D+01  0.418623D+01 -0.611448D+01  0.638985D+01
      3   0.283226D+01  0.205585D+01  0.117731D+01  0.905358D+01 -0.357886D+01
      4  -0.958450D+00  0.619804D+00 -0.157654D+01 -0.889139D+00 -0.414364D+01
      5  -0.238963D+01  0.310144D+01  0.109162D+01 -0.478377D+01 -0.210573D-01
      6  -0.856906D+01 -0.660482D+00  0.208433D+01  0.347638D+01 -0.100106D+01
                11            12            13            14            15 
      1  -0.909717D+01  0.732476D+00 -0.137399D+02 -0.357515D+02  0.124579D+01
      2   0.719378D+01 -0.760897D+00  0.807950D+01  0.528038D+02 -0.805946D+00
      3   0.190339D+01  0.284215D-01  0.566044D+01 -0.170523D+02 -0.439845D+00
      4   0.152090D+02 -0.775225D+00  0.148861D+02 -0.278721D+02  0.131797D+01
      5  -0.294875D+00  0.491035D+01 -0.167641D+01 -0.237958D+00 -0.377621D+01
      6  -0.376776D+00  0.129614D+01 -0.819557D+00 -0.270577D+01  0.150953D+02
                16            17            18            19            20 
      1   0.257200D+01  0.380126D+01 -0.970231D+01  0.643069D+02  0.100494D+01
      2  -0.222261D+01 -0.257841D+01  0.702258D+01 -0.386203D+02 -0.266884D+00
      3  -0.349390D+00 -0.122285D+01  0.267973D+01 -0.256866D+02 -0.738052D+00
      4  -0.118846D+01  0.147230D+01 -0.769877D+01  0.555689D+00  0.101528D+02
      5   0.382067D+01 -0.848530D+01  0.240675D+01  0.441236D+01  0.129728D+01
      6   0.405655D+00  0.139337D+02 -0.412338D+01  0.829801D+00  0.384091D+00
                21            22            23            24            25 
      1   0.247008D+01 -0.776716D+01  0.484585D+01 -0.583278D+00  0.681904D+01
      2  -0.254254D+01  0.365724D+01 -0.929701D+00  0.828276D+00 -0.633518D+01
      3   0.724601D-01  0.410992D+01 -0.391615D+01 -0.244998D+00 -0.483862D+00
      4   0.104899D+01  0.128398D+02 -0.143535D+02  0.327333D+01  0.164397D+01
      5   0.172252D+02 -0.459643D+00  0.336158D+01 -0.705443D+00  0.193740D+02
      6   0.133337D+01  0.299391D+00  0.796110D-01  0.420488D+01 -0.127647D+01
                26            27            28            29            30 
      1   0.127650D+01  0.102201D+02  0.376663D-02  0.549940D+01  0.138864D+01
      2  -0.113993D+00 -0.113685D+02  0.159911D+01 -0.520085D+01  0.367207D+01
      3  -0.116251D+01  0.114836D+01 -0.160288D+01 -0.298550D+00 -0.506072D+01
      4   0.339527D+01 -0.469736D+00 -0.182371D+01 -0.265747D+01 -0.290082D-02
      5   0.149023D+01  0.741509D+01 -0.116471D+01  0.178351D+01  0.578802D+00
      6   0.365398D+01 -0.232534D+00 -0.131695D+01  0.150328D+01 -0.326800D+01
                31            32            33            34            35 
      1   0.722383D+00 -0.109380D+01  0.395802D+01  0.229544D+01  0.247597D+01
      2   0.882303D+00 -0.177520D+01  0.303391D+01  0.327044D+01 -0.752875D+00
      3  -0.160469D+01  0.286901D+01 -0.699192D+01 -0.556588D+01 -0.172309D+01
      4  -0.807703D+01 -0.729088D+01  0.208083D+01 -0.169821D+01  0.287368D+01
      5   0.111041D+01  0.137073D+01 -0.345305D+01  0.166947D+01  0.194345D+01
      6   0.164783D+01  0.151379D+01 -0.410155D+01  0.318680D+01  0.110722D+01
                36            37            38            39            40 
      1   0.772661D+01  0.133283D+01 -0.648733D+01  0.216351D+01 -0.673627D-01
      2   0.732391D+01 -0.115773D+01  0.444518D+01  0.193978D+01 -0.222379D+01
      3  -0.150505D+02 -0.175104D+00  0.204215D+01 -0.410329D+01  0.229115D+01
      4   0.498854D+01  0.777073D-01 -0.295657D+01 -0.344275D+00 -0.732105D+01
      5   0.679166D+00 -0.146735D+00 -0.141840D+01 -0.981144D-01 -0.111542D+01
      6  -0.104057D+01  0.117100D+01  0.694584D+00  0.382761D+01  0.309615D+01
                41            42            43            44            45 
      1  -0.752760D+00 -0.378816D+01  0.434285D+01 -0.264456D+01  0.795871D+01
      2  -0.231760D+01 -0.301754D+01  0.253744D+01 -0.113603D+01  0.618170D+01
      3   0.307036D+01  0.680570D+01 -0.688029D+01  0.378060D+01 -0.141404D+02
      4   0.219897D+01  0.244691D+01  0.248387D+00  0.179677D+01 -0.576964D+01
      5   0.423945D+00  0.356781D+01  0.941755D+00 -0.229679D+01  0.899499D+00
      6  -0.187665D+01 -0.407813D+01 -0.311770D+01  0.149239D+01  0.860479D+00
                46            47            48            49            50 
      1  -0.439953D+02  0.470265D+01 -0.259539D+01  0.188568D+02  0.129454D+02
      2   0.288578D+02  0.259645D-01  0.506709D+01 -0.124189D+02 -0.162865D+02
      3   0.151375D+02 -0.472862D+01 -0.247169D+01 -0.643791D+01  0.334107D+01
      4   0.831196D+01 -0.107792D+02  0.275994D+00  0.216214D+01  0.324136D+01
      5  -0.572269D+01  0.142637D+01 -0.119259D+02  0.289987D+01  0.953378D+00
      6   0.148612D+00 -0.705031D+00  0.430654D+01  0.147147D+01 -0.126342D+00
                51            52            53            54            55 
      1   0.384188D+01 -0.990068D+01  0.505092D+01 -0.720987D+01  0.945665D+02
      2  -0.101931D+01  0.748740D+01 -0.259925D+01 -0.219025D+01 -0.570046D+02
      3  -0.282258D+01  0.241328D+01 -0.245167D+01  0.940012D+01 -0.375619D+02
      4   0.982142D+00  0.189390D+01 -0.346355D+01  0.253061D+01 -0.564621D+01
      5   0.597282D+01  0.105725D+01  0.111400D+01 -0.689590D+01  0.907434D+01
      6  -0.769346D+01  0.420165D-01  0.263634D+01 -0.230846D+01 -0.989446D+00
                56            57            58            59            60 
      1  -0.108511D+02  0.542332D+01 -0.118793D+02  0.911173D+01 -0.155699D+01
      2   0.767188D+01 -0.533901D+01  0.862517D+01 -0.195269D+01  0.131775D+01
      3   0.317922D+01 -0.843084D-01  0.325411D+01 -0.715903D+01  0.239238D+00
      4   0.233740D+02 -0.446562D+00  0.190720D+02 -0.877033D+01  0.235472D+01
      5  -0.139997D+01  0.225999D+02 -0.204554D+01  0.233279D+01 -0.530707D+01
      6   0.141685D+01 -0.144152D+01  0.120263D+01 -0.142964D+00  0.554890D+01
                61            62            63            64            65 
      1   0.904135D+01 -0.271808D+01  0.150775D+02  0.141558D+02 -0.910395D+01
      2  -0.873744D+01  0.184650D+01 -0.146389D+02 -0.646296D+01  0.161804D+02
      3  -0.303911D+00  0.871584D+00 -0.438642D+00 -0.769282D+01 -0.707648D+01
      4  -0.263799D+01  0.459508D+01 -0.169651D+01  0.161099D+02  0.145075D+02
      5   0.253681D+02 -0.337604D+01  0.114850D+02 -0.253559D+01 -0.154455D+01
      6   0.155915D+01  0.424953D+01  0.310498D+00 -0.315317D+01 -0.352336D+01
                66            67            68            69            70 
      1   0.614607D+00 -0.520644D+01 -0.258996D+01  0.130603D+01 -0.574800D+00
      2  -0.923838D+00  0.858509D+01  0.931556D+01 -0.338736D+01  0.143393D+01
      3   0.309231D+00 -0.337865D+01 -0.672560D+01  0.208133D+01 -0.859127D+00
      4  -0.302835D+01  0.138013D+02  0.184441D+02 -0.212310D+01 -0.166480D+01
      5   0.755293D+01 -0.963734D+00 -0.409532D+01  0.369596D+01  0.553558D+01
      6   0.533818D+01 -0.179505D+01 -0.511818D+01  0.942703D+01  0.349071D+01
                71            72            73            74            75 
      1   0.441722D+01 -0.434178D+01 -0.365411D+01 -0.283361D+01 -0.255498D+01
      2  -0.318400D+01 -0.737709D+00  0.355312D+01  0.199710D+01  0.780798D-01
      3  -0.123323D+01  0.507949D+01  0.100987D+00  0.836501D+00  0.247690D+01
      4  -0.271228D+01  0.465612D+01  0.329760D+01  0.519518D+00  0.204481D+01
      5   0.304181D+01 -0.319569D+01 -0.226238D+01  0.112994D+00  0.471050D+01
      6   0.782337D+01 -0.374831D+01  0.319727D+01 -0.105363D+01  0.162599D+00
                76            77            78            79            80 
      1  -0.192251D+01 -0.180952D+02 -0.203925D+01 -0.208499D+01 -0.516705D+01
      2  -0.639241D+00  0.283789D+02  0.287243D+01  0.135178D+01  0.411819D+01
      3   0.256175D+01 -0.102837D+02 -0.833176D+00  0.733212D+00  0.104886D+01
      4   0.127498D+02 -0.183557D+02 -0.430503D+01  0.444053D+01 -0.568421D+01
      5   0.190067D+01 -0.369741D+01 -0.538117D+01  0.456033D+01 -0.336030D+01
      6  -0.332761D+01  0.742924D+01  0.120693D+02 -0.171137D+01  0.902163D+01
                81            82            83            84            85 
      1  -0.682438D+01  0.991109D+01  0.379106D+01  0.134388D+01 -0.287615D+01
      2   0.143935D+01 -0.250532D+01 -0.109324D+01 -0.130253D+01  0.313597D+01
      3   0.538503D+01 -0.740577D+01 -0.269783D+01 -0.413520D-01 -0.259820D+00
      4  -0.346717D+01  0.197189D+02  0.198986D+02  0.142255D+01  0.838482D+01
      5  -0.403577D+01  0.103736D+01  0.260793D+00  0.677996D+01 -0.790458D+00
      6   0.532828D+01  0.299822D+01 -0.232973D+00  0.447989D+00 -0.178412D+01
                86            87            88            89            90 
      1  -0.235876D+02 -0.182024D+01  0.143820D+01 -0.265727D+01 -0.772979D+01
      2   0.369429D+02  0.101314D+01 -0.136897D+01  0.165040D+01  0.462850D+01
      3  -0.133553D+02  0.807098D+00 -0.692309D-01  0.100687D+01  0.310128D+01
      4   0.191716D+02 -0.406413D+00  0.234438D+01  0.182260D+01  0.672104D+01
      5  -0.769453D+00  0.153366D+01  0.416483D+01  0.665896D+01  0.143969D+01
      6   0.945618D+00  0.132340D+02 -0.626260D-01  0.121805D+02  0.272946D+01
                91            92            93            94            95 
      1  -0.153118D+01 -0.946460D+00 -0.312459D+01 -0.151862D+01 -0.245980D+01
      2  -0.348038D+01 -0.314499D+00 -0.214575D+01 -0.485394D+00 -0.963073D+00
      3   0.501156D+01  0.126096D+01  0.527034D+01  0.200401D+01  0.342287D+01
      4  -0.114589D+01  0.120621D+01 -0.736381D+00  0.233777D+01 -0.428381D+00
      5   0.168606D+01  0.153665D+00  0.470680D+01  0.440461D+00 -0.309043D+00
      6   0.264907D+00  0.768192D+00 -0.245063D+00  0.700407D+00  0.128097D+01
                96            97            98            99           100 
      1  -0.210819D+01 -0.324126D+01 -0.426810D+00 -0.171787D+02 -0.212022D+01
      2  -0.272951D+01 -0.255442D+01 -0.251459D+01 -0.146104D+02 -0.282440D+01
      3   0.483770D+01  0.579569D+01  0.294140D+01  0.317892D+02  0.494462D+01
      4  -0.954686D+00 -0.518648D+00 -0.246665D+01 -0.119887D+01  0.143800D+01
      5  -0.854463D-01  0.436764D+01 -0.303097D+00 -0.230546D+01  0.168033D+01
      6   0.534749D+01 -0.301631D+00  0.449798D+01 -0.793460D+00 -0.259211D+00
               101           102           103           104           105 
      1   0.129173D+01 -0.323403D+01  0.182636D+01 -0.234441D+01  0.230186D+01
      2   0.158447D+00 -0.186328D+01  0.344186D+00 -0.123593D+01  0.273638D+01
      3  -0.145018D+01  0.509731D+01 -0.217055D+01  0.358034D+01 -0.503824D+01
      4   0.174474D+01  0.737395D+00  0.219163D+01  0.904768D+00 -0.117123D+01
      5  -0.296760D+00  0.480143D+01 -0.638488D+00 -0.179519D+00  0.268115D+00
      6   0.859035D+00  0.114185D+00  0.788052D+00 -0.151018D+01  0.524849D+01
               106           107           108           109           110 
      1  -0.464726D+01  0.992003D+00 -0.177046D+02 -0.114889D+02  0.399486D+01
      2  -0.230259D+01  0.288931D+01 -0.134654D+02  0.581583D+01 -0.483885D+01
      3   0.694985D+01 -0.388131D+01  0.311699D+02  0.567302D+01  0.843996D+00
      4   0.844597D+00 -0.222668D+01  0.193173D+01 -0.159517D+02 -0.115701D+02
      5   0.426070D+01  0.242054D+00 -0.209168D+01 -0.100427D+01  0.107153D+00
      6   0.686842D+00  0.447649D+01  0.812242D+00 -0.245213D+01 -0.608513D+00
               111           112           113           114           115 
      1   0.829612D-01  0.200345D+01 -0.592483D+01  0.899558D-01 -0.118542D+01
      2  -0.459175D-01 -0.185671D+01  0.801813D+01 -0.180913D+00  0.603166D+00
      3  -0.370438D-01 -0.146735D+00 -0.209329D+01  0.909574D-01  0.582256D+00
      4  -0.947950D+00  0.820731D+00  0.164003D+01  0.964340D-01 -0.208119D+01
      5  -0.502612D+01  0.131700D+00 -0.338903D+00  0.548787D+00  0.247469D+00
      6  -0.146104D+01  0.709882D-01 -0.119170D+00  0.173737D+01 -0.269832D+00
               116           117           118           119           120 
      1   0.491175D+00 -0.237759D+01  0.631538D+01  0.634801D+01 -0.653947D+00
      2  -0.755642D+00  0.888561D+00 -0.221751D+01 -0.259493D+01  0.858917D+00
      3   0.264466D+00  0.148903D+01 -0.409787D+01 -0.375308D+01 -0.204970D+00
      4  -0.140854D+01  0.327010D+00  0.712047D+01  0.507473D+01  0.101668D-01
      5   0.720582D+00 -0.393531D+00 -0.913573D+00  0.213341D+00  0.185518D+01
      6   0.267859D+01 -0.381876D+00 -0.270638D+00  0.296458D+00  0.114122D+01
               121           122           123           124           125 
      1   0.196561D+02  0.336799D+01  0.166089D+01 -0.282732D+01 -0.151731D-01
      2  -0.109123D+02 -0.488087D+00 -0.172123D+01  0.168334D+01 -0.168310D-01
      3  -0.874383D+01 -0.287991D+01  0.603317D-01  0.114398D+01  0.320041D-01
      4   0.742723D+01  0.218323D+02 -0.980502D+00  0.346299D+00 -0.159229D+01
      5   0.208199D+01 -0.138182D+01  0.512328D+01  0.360964D+01  0.281745D+01
      6   0.119221D+01  0.874121D+00  0.365845D+00  0.549187D+00  0.164756D+01
               126           127           128           129           130 
      1   0.111956D+01 -0.480779D+01  0.785079D+01 -0.998779D+00  0.591962D+01
      2  -0.124093D+01  0.417089D+01 -0.108683D+02 -0.391513D+00 -0.558342D+01
      3   0.121369D+00  0.636905D+00  0.301747D+01  0.139029D+01 -0.336204D+00
      4   0.290858D+01 -0.594919D+01 -0.913782D+00  0.149766D+01  0.437518D+01
      5  -0.273695D+00  0.108032D+01 -0.669094D+00 -0.148211D+01 -0.982746D+00
      6   0.476050D+00  0.160631D+01  0.222003D+01 -0.210504D+01 -0.425722D+00
               131           132           133           134           135 
      1  -0.164270D+02  0.157155D+00  0.214573D+01 -0.189412D+01 -0.256822D+01
      2   0.246942D+02  0.796139D+00 -0.135119D+01  0.296918D+01  0.255127D+01
      3  -0.826724D+01 -0.953294D+00 -0.794538D+00 -0.107506D+01  0.169407D-01
      4   0.375099D+01 -0.522168D+00  0.129737D+01  0.155227D+01  0.594413D-01
      5   0.730028D+00  0.185193D+01  0.960350D+00  0.661561D+00  0.126583D+01
      6  -0.167000D+01  0.458678D+01 -0.456132D+00  0.409432D+01  0.204987D+00
               136           137           138           139           140 
      1   0.135967D+02  0.261802D+01  0.261060D+01 -0.340092D+01  0.370993D+01
      2  -0.449476D+01 -0.764450D+01 -0.141387D+00  0.619741D-01 -0.107268D+01
      3  -0.910190D+01  0.502648D+01 -0.246921D+01  0.333894D+01 -0.263725D+01
      4  -0.163397D+02  0.139394D+02 -0.318071D+00  0.564165D+01 -0.268615D+01
      5  -0.622490D+00  0.166660D+01  0.351909D+01 -0.444686D+00  0.126900D+01
      6  -0.125937D+01 -0.144947D+01 -0.495759D+01  0.125022D+00 -0.106804D+01
               141           142           143           144 
      1   0.454817D+00  0.171800D+01  0.271007D+01  0.102320D+01
      2  -0.352780D+00 -0.616270D+00 -0.367967D+01 -0.111998D+01
      3  -0.102037D+00 -0.110173D+01  0.969603D+00  0.967855D-01
      4   0.131884D+01 -0.388993D+01  0.362275D+01 -0.293324D+01
      5  -0.146435D+01  0.337414D+01 -0.194340D+01  0.834071D+00
      6   0.752701D+00 -0.204733D+01  0.218939D+01 -0.206256D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Jul 28 19:59:01 2021, MaxMem=  5637144576 cpu:           19280.1 elap:            2429.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.04430 -19.01638 -19.01483 -19.00269 -18.99727
 Alpha  occ. eigenvalues --  -18.97522 -10.26265 -10.24255 -10.19513 -10.18908
 Alpha  occ. eigenvalues --   -1.28668  -1.26038  -1.22205  -1.19648  -1.19072
 Alpha  occ. eigenvalues --   -1.16283  -0.94859  -0.84967  -0.79094  -0.76111
 Alpha  occ. eigenvalues --   -0.73894  -0.72190  -0.69414  -0.65554  -0.63333
 Alpha  occ. eigenvalues --   -0.62353  -0.60217  -0.58584  -0.57987  -0.57527
 Alpha  occ. eigenvalues --   -0.54339  -0.53207  -0.49807  -0.48650  -0.47286
 Alpha  occ. eigenvalues --   -0.46000  -0.43898  -0.42995  -0.42193
 Alpha virt. eigenvalues --    0.02343   0.03599   0.04281   0.04427   0.04979
 Alpha virt. eigenvalues --    0.06495   0.06897   0.07108   0.08476   0.10599
 Alpha virt. eigenvalues --    0.10723   0.10831   0.11397   0.12326   0.13515
 Alpha virt. eigenvalues --    0.13799   0.14290   0.14630   0.15078   0.15803
 Alpha virt. eigenvalues --    0.16692   0.16938   0.18356   0.18517   0.20203
 Alpha virt. eigenvalues --    0.20919   0.21907   0.22954   0.23893   0.25034
 Alpha virt. eigenvalues --    0.25455   0.25787   0.26373   0.26456   0.27015
 Alpha virt. eigenvalues --    0.27712   0.27904   0.28398   0.28975   0.29623
 Alpha virt. eigenvalues --    0.30780   0.31120   0.31954   0.32498   0.32676
 Alpha virt. eigenvalues --    0.33166   0.33634   0.34177   0.35546   0.36188
 Alpha virt. eigenvalues --    0.37417   0.37668   0.38199   0.39693   0.40046
 Alpha virt. eigenvalues --    0.40160   0.41554   0.43032   0.43698   0.44403
 Alpha virt. eigenvalues --    0.44976   0.46281   0.46967   0.47388   0.49038
 Alpha virt. eigenvalues --    0.49496   0.50914   0.52001   0.53545   0.54405
 Alpha virt. eigenvalues --    0.54927   0.55327   0.56869   0.58487   0.58875
 Alpha virt. eigenvalues --    0.59768   0.60576   0.61832   0.63154   0.63630
 Alpha virt. eigenvalues --    0.64151   0.65344   0.67041   0.67411   0.68621
 Alpha virt. eigenvalues --    0.70285   0.70430   0.73055   0.75132   0.75687
 Alpha virt. eigenvalues --    0.77277   0.77717   0.77898   0.78415   0.80452
 Alpha virt. eigenvalues --    0.81123   0.84226   0.84610   0.86134   0.86832
 Alpha virt. eigenvalues --    0.87872   0.88852   0.89829   0.91679   0.93107
 Alpha virt. eigenvalues --    0.94554   0.95051   0.95432   0.96459   0.99166
 Alpha virt. eigenvalues --    0.99975   1.01638   1.04181   1.04884   1.06253
 Alpha virt. eigenvalues --    1.08369   1.10434   1.11053   1.12040   1.12445
 Alpha virt. eigenvalues --    1.14996   1.15878   1.17126   1.18222   1.19660
 Alpha virt. eigenvalues --    1.21024   1.22450   1.23450   1.24875   1.25553
 Alpha virt. eigenvalues --    1.26619   1.28032   1.29493   1.31302   1.32467
 Alpha virt. eigenvalues --    1.34394   1.36009   1.36846   1.39758   1.40373
 Alpha virt. eigenvalues --    1.41477   1.43057   1.45786   1.48299   1.50374
 Alpha virt. eigenvalues --    1.51474   1.53792   1.54971   1.57244   1.58604
 Alpha virt. eigenvalues --    1.59357   1.61041   1.62003   1.62996   1.63635
 Alpha virt. eigenvalues --    1.66227   1.69161   1.69632   1.72488   1.74395
 Alpha virt. eigenvalues --    1.75849   1.79821   1.81870   1.83441   1.84978
 Alpha virt. eigenvalues --    1.87421   1.89053   1.90047   1.91772   1.92393
 Alpha virt. eigenvalues --    1.95450   1.96931   1.99204   2.01524   2.02704
 Alpha virt. eigenvalues --    2.06319   2.10278   2.11132   2.11743   2.13775
 Alpha virt. eigenvalues --    2.15312   2.17865   2.21789   2.23757   2.25549
 Alpha virt. eigenvalues --    2.27132   2.30562   2.32711   2.35078   2.37313
 Alpha virt. eigenvalues --    2.39287   2.45127   2.45766   2.46761   2.48001
 Alpha virt. eigenvalues --    2.49716   2.55469   2.57607   2.62527   2.68460
 Alpha virt. eigenvalues --    2.68946   2.71805   2.72778   2.75968   2.81675
 Alpha virt. eigenvalues --    2.84468   2.91195   2.98589   3.04888   3.11374
 Alpha virt. eigenvalues --    3.15559   3.18698   3.28970   3.32375   3.40467
 Alpha virt. eigenvalues --    3.41358   3.42146   3.43241   3.44105   3.46021
 Alpha virt. eigenvalues --    3.47521   3.48314   3.50212   3.50646   3.51357
 Alpha virt. eigenvalues --    3.52640   3.54091   3.55825   3.57250   3.59155
 Alpha virt. eigenvalues --    3.62171   3.64058   3.65961   3.69967   3.73138
 Alpha virt. eigenvalues --    3.73830   3.78802   3.82882   3.86972   3.89841
 Alpha virt. eigenvalues --    3.99157   4.07255   4.11717   4.16651   4.22848
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.029699   0.259496  -0.141408  -0.388922  -0.194475  -0.013624
     2  O    0.259496   8.304793  -0.130129   0.009266   0.030687  -0.009416
     3  O   -0.141408  -0.130129   8.293696   0.096654   0.035750  -0.004582
     4  C   -0.388922   0.009266   0.096654   5.718015   0.337912  -0.194060
     5  C   -0.194475   0.030687   0.035750   0.337912   5.721659  -0.441845
     6  C   -0.013624  -0.009416  -0.004582  -0.194060  -0.441845   6.112598
     7  O   -0.004859  -0.001305   0.000450   0.053083  -0.010202   0.273735
     8  O    0.018107  -0.011439  -0.047741  -0.090396   0.059109   0.035594
     9  O    0.029808  -0.003803  -0.000834   0.061647  -0.043532   0.004077
    10  O   -0.007309  -0.030785  -0.001623   0.021190   0.106641  -0.152345
    11  H   -0.067345   0.005724   0.011864  -0.028408  -0.044927  -0.098244
    12  H   -0.034135   0.021760  -0.003735  -0.179290   0.008717  -0.062495
    13  H   -0.051360   0.067433   0.004587  -0.013754  -0.043624  -0.065918
    14  H   -0.066903   0.022979   0.278137  -0.055964  -0.019063  -0.002269
    15  H   -0.014592   0.002500   0.002699  -0.008632  -0.083865  -0.007835
    16  H   -0.003035   0.000405   0.000227  -0.009758  -0.044620  -0.093748
               7          8          9         10         11         12
     1  C   -0.004859   0.018107   0.029808  -0.007309  -0.067345  -0.034135
     2  O   -0.001305  -0.011439  -0.003803  -0.030785   0.005724   0.021760
     3  O    0.000450  -0.047741  -0.000834  -0.001623   0.011864  -0.003735
     4  C    0.053083  -0.090396   0.061647   0.021190  -0.028408  -0.179290
     5  C   -0.010202   0.059109  -0.043532   0.106641  -0.044927   0.008717
     6  C    0.273735   0.035594   0.004077  -0.152345  -0.098244  -0.062495
     7  O    8.254339  -0.003171  -0.044159  -0.096288   0.004509  -0.004443
     8  O   -0.003171   8.335561  -0.045520  -0.004346  -0.090191   0.026009
     9  O   -0.044159  -0.045520   8.429277  -0.018145  -0.009175  -0.161904
    10  O   -0.096288  -0.004346  -0.018145   8.345946   0.022804  -0.008752
    11  H    0.004509  -0.090191  -0.009175   0.022804   1.387331   0.093642
    12  H   -0.004443   0.026009  -0.161904  -0.008752   0.093642   1.509328
    13  H    0.013696   0.004829   0.001000   0.217846   0.008384   0.015124
    14  H    0.000081   0.033596  -0.001370   0.000122   0.010641   0.007240
    15  H    0.001639   0.327623   0.041888   0.001551  -0.006870   0.005445
    16  H    0.046314   0.000609   0.303676   0.006054   0.018720   0.044422
              13         14         15         16
     1  C   -0.051360  -0.066903  -0.014592  -0.003035
     2  O    0.067433   0.022979   0.002500   0.000405
     3  O    0.004587   0.278137   0.002699   0.000227
     4  C   -0.013754  -0.055964  -0.008632  -0.009758
     5  C   -0.043624  -0.019063  -0.083865  -0.044620
     6  C   -0.065918  -0.002269  -0.007835  -0.093748
     7  O    0.013696   0.000081   0.001639   0.046314
     8  O    0.004829   0.033596   0.327623   0.000609
     9  O    0.001000  -0.001370   0.041888   0.303676
    10  O    0.217846   0.000122   0.001551   0.006054
    11  H    0.008384   0.010641  -0.006870   0.018720
    12  H    0.015124   0.007240   0.005445   0.044422
    13  H    0.643809  -0.000760  -0.001166  -0.001901
    14  H   -0.000760   0.603345  -0.002739  -0.000289
    15  H   -0.001166  -0.002739   0.572124  -0.000382
    16  H   -0.001901  -0.000289  -0.000382   0.562530
 Mulliken charges:
               1
     1  C    0.650858
     2  O   -0.538166
     3  O   -0.394012
     4  C    0.671417
     5  C    0.625679
     6  C    0.720377
     7  O   -0.483419
     8  O   -0.548234
     9  O   -0.542931
    10  O   -0.402560
    11  H   -0.218458
    12  H   -0.276931
    13  H    0.201776
    14  H    0.193216
    15  H    0.170610
    16  H    0.170777
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.650858
     2  O   -0.538166
     3  O   -0.200795
     4  C    0.452959
     5  C    0.348748
     6  C    0.720377
     7  O   -0.483419
     8  O   -0.377624
     9  O   -0.372154
    10  O   -0.200783
 Electronic spatial extent (au):  <R**2>=           1426.3370
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.0371    Y=              2.6073    Z=             -0.0269  Tot=              3.3088
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -68.0777   YY=            -61.5740   ZZ=            -55.9156
   XY=              1.1569   XZ=             -2.0151   YZ=             -0.5846
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.2219   YY=              0.2817   ZZ=              5.9402
   XY=              1.1569   XZ=             -2.0151   YZ=             -0.5846
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             28.7246  YYY=             16.3041  ZZZ=             -0.0576  XYY=             -1.6332
  XXY=             22.2753  XXZ=              3.1009  XZZ=              0.5314  YZZ=             -2.1579
  YYZ=             -2.0739  XYZ=              6.1656
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1133.8713 YYYY=           -535.8441 ZZZZ=            -95.9938 XXXY=             10.4033
 XXXZ=            -19.4431 YYYX=              1.9497 YYYZ=             -6.2309 ZZZX=              1.1147
 ZZZY=             -0.4764 XXYY=           -271.6696 XXZZ=           -193.8121 YYZZ=           -115.0768
 XXYZ=              3.1530 YYXZ=              4.0267 ZZXY=             -0.0542
 N-N= 5.825656445576D+02 E-N=-2.589906442720D+03  KE= 6.028955576204D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Jul 28 19:59:02 2021, MaxMem=  5637144576 cpu:               5.6 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.93647824D-01 1.05583078D+00-1.16623924D-02
 Polarizability= 8.08764244D+01 1.14712420D-02 7.21132048D+01
                 2.28734473D+00-4.23094189D-01 4.78161568D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.2251   -1.2248        0.0085    0.0084
 2      1.2251    1.2248        0.2464    0.2464       -4.3227   -4.3231
 3     -0.0085   -0.0084       16.6183   16.6188       -0.2463   -0.2464
 4     -0.2464   -0.2464       -0.0000    0.0000       -0.0083   -0.0084
 5    -12.2956  -12.2957        0.0083    0.0084       -1.2249   -1.2248
 6      0.2463    0.2464        1.2249    1.2248        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.6744    3.6744        0.0252    0.0252
 2     -0.7392   -0.7392        0.0000    0.0000        0.0252    0.0252
 3     -0.7392   -0.7392        3.6744    3.6744        0.0000    0.0000
 4      3.6744    3.6744        0.7392    0.7392      -12.9692  -12.9692
 5     -0.0252   -0.0252       49.8563   49.8563       -0.7392   -0.7392
 6    -36.8870  -36.8870        0.0252    0.0252       -3.6744   -3.6744
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0015    0.0000        4.8958    4.8992       -0.0366   -0.0336
 2     -4.9000   -4.8992       -0.9902   -0.9856       17.2817   17.2923
 3      0.0375    0.0336      -66.4701  -66.4750        0.9805    0.9856
 4      0.9943    0.9856        0.0045    0.0000        0.0307    0.0336
 5     49.1733   49.1827       -0.0293   -0.0336        4.8962    4.8992
 6     -0.9802   -0.9856       -4.8907   -4.8992       -0.0020    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0134    0.0000      -19.3604  -19.3765        2.4069    2.3780
 2     19.4017   19.3765       -3.9984   -4.0051       17.5291   17.5367
 3     -2.3713   -2.3780       -5.5611   -5.5551        3.9585    4.0051
 4      4.0225    4.0051       -0.0137    0.0000       -2.3980   -2.3780
 5    -12.0057  -11.9817        2.3490    2.3780      -19.3723  -19.3765
 6     -4.0119   -4.0051       19.3785   19.3765        0.0033    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.5529   -1.5533       -8.9128   -8.9259       -4.9385   -4.9498
 2      0.1205    0.1150      -31.2662  -31.2658       -4.9431   -4.9498
 3      0.1161    0.1150       -8.9256   -8.9259       -8.2964   -8.2968
 4     22.3414   22.3399       -1.6703   -1.6683       12.7018   12.7070
 5     -3.3239   -3.3470       -2.6861   -2.6793        1.6138    1.6683
 6    -10.0294  -10.0277        3.3019    3.3470      -22.3063  -22.3399
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.8870   -3.1437   -0.0005    0.0006    0.0007    1.1840
 Low frequencies ---   72.1256   87.7194  114.5635
 Diagonal vibrational polarizability:
       43.8185514      27.4081734      31.0639178
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     72.1253                87.7193               114.5634
 Red. masses --      9.0905                 9.3887                11.3872
 Frc consts  --      0.0279                 0.0426                 0.0881
 IR Inten    --      0.2035                 2.2821                 2.7739
 RamAct Fr= 1--      0.4126                 0.1257                 0.8023
  Dep-P Fr= 1--      0.7500                 0.5425                 0.7482
  Dep-U Fr= 1--      0.8571                 0.7034                 0.8559
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0000
 Beta2  Fr= 1--      0.0589                 0.0147                 0.1145
 AlphaG Fr= 1--     -0.0000                -0.0005                 0.0012
 Gamma2 Fr= 1--     -0.0132                 0.0929                 0.2791
 Delta2 Fr= 1--     -0.0171                 0.0899                 0.1971
 Raman1 Fr= 1--       1.650                  0.503                  3.209
 ROA1   Fr= 1--      -1.812                 11.795                 33.101
 CID1   Fr= 1--      -1.098                 23.450                 10.314
 Raman2 Fr= 1--       0.707                  0.177                  1.374
 ROA2   Fr= 1--      -0.179                  1.511                  5.122
 CID2   Fr= 1--      -0.254                  8.542                  3.729
 Raman3 Fr= 1--       1.415                  0.354                  2.747
 ROA3   Fr= 1--      -1.812                 11.795                 33.101
 CID3   Fr= 1--      -1.281                 33.339                 12.050
 RC180  Fr= 1--       0.714                  0.407                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01    -0.01  -0.01  -0.07    -0.02  -0.00  -0.11
     2   8     0.04  -0.06  -0.29    -0.04  -0.02  -0.24     0.05  -0.05  -0.37
     3   8    -0.12   0.08   0.47     0.03  -0.12  -0.07    -0.09   0.07   0.18
     4   6     0.02  -0.03  -0.11     0.05   0.11   0.08    -0.03   0.01  -0.05
     5   6     0.05   0.02  -0.07    -0.04   0.11  -0.09     0.03  -0.02   0.06
     6   6    -0.00   0.00   0.06     0.00  -0.04   0.06     0.03   0.00   0.03
     7   8    -0.07  -0.02   0.34    -0.05  -0.13   0.11     0.16   0.08  -0.40
     8   8     0.02  -0.03  -0.18     0.15   0.06   0.39    -0.05   0.02  -0.07
     9   8     0.06   0.02  -0.11    -0.13   0.08  -0.39     0.03  -0.02   0.17
    10   8     0.02   0.03  -0.13     0.03  -0.04   0.22    -0.10  -0.08   0.50
    11   1     0.01  -0.09  -0.09     0.13   0.33   0.00    -0.10   0.02  -0.03
    12   1     0.09   0.06  -0.07    -0.12   0.31  -0.01     0.10  -0.05   0.02
    13   1     0.04   0.01  -0.29     0.07   0.02   0.05    -0.08  -0.09   0.33
    14   1    -0.17   0.09   0.51     0.09  -0.10   0.10    -0.15   0.09   0.27
    15   1     0.03  -0.02  -0.18     0.13   0.13   0.09    -0.05  -0.02   0.09
    16   1    -0.00   0.00   0.10    -0.16  -0.08  -0.28     0.13   0.04  -0.14
                      4                      5                      6
                      A                      A                      A
 Frequencies --    228.1123               238.8674               323.7049
 Red. masses --      8.6268                 7.1660                 5.2360
 Frc consts  --      0.2645                 0.2409                 0.3233
 IR Inten    --     21.3141                15.7689                19.5821
 RamAct Fr= 1--      0.1637                 0.7182                 0.3740
  Dep-P Fr= 1--      0.3309                 0.7499                 0.0802
  Dep-U Fr= 1--      0.4973                 0.8571                 0.1485
 Alpha2 Fr= 1--      0.0015                 0.0000                 0.0069
 Beta2  Fr= 1--      0.0136                 0.1026                 0.0093
 AlphaG Fr= 1--     -0.0005                 0.0001                -0.0050
 Gamma2 Fr= 1--      0.0177                -0.2490                 0.0649
 Delta2 Fr= 1--      0.0384                -0.1236                 0.0261
 Raman1 Fr= 1--       0.655                  2.873                  1.496
 ROA1   Fr= 1--       2.924                -27.854                  7.066
 CID1   Fr= 1--       4.465                 -9.696                  4.723
 Raman2 Fr= 1--       0.163                  1.231                  0.111
 ROA2   Fr= 1--       0.117                 -4.986                  1.349
 CID2   Fr= 1--       0.716                 -4.050                 12.140
 Raman3 Fr= 1--       0.326                  2.462                  0.222
 ROA3   Fr= 1--       2.924                -27.854                  7.066
 CID3   Fr= 1--       8.980                -11.313                 31.804
 RC180  Fr= 1--      -0.005                  0.714                 -0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.20  -0.03  -0.02     0.05  -0.11   0.07     0.10   0.04   0.08
     2   8    -0.26  -0.02  -0.02     0.29  -0.21  -0.11    -0.02   0.06  -0.10
     3   8    -0.18  -0.17   0.02     0.02   0.09  -0.08     0.22  -0.22   0.06
     4   6    -0.10   0.08   0.02    -0.12  -0.16   0.22     0.07   0.05   0.14
     5   6     0.00   0.16   0.13    -0.13   0.09   0.19    -0.01   0.02   0.12
     6   6     0.19  -0.01   0.06    -0.04   0.11   0.07     0.02  -0.01   0.05
     7   8     0.16  -0.15  -0.06    -0.03   0.04  -0.08     0.06   0.09   0.01
     8   8     0.05  -0.00  -0.14    -0.12  -0.17   0.01    -0.09   0.12  -0.17
     9   8    -0.12   0.10   0.10    -0.05   0.14  -0.09    -0.21  -0.07  -0.04
    10   8     0.40   0.08  -0.04     0.11   0.16  -0.07    -0.09  -0.02  -0.04
    11   1    -0.24   0.07   0.06    -0.20  -0.27   0.26     0.03  -0.16   0.20
    12   1     0.08   0.24   0.13    -0.25   0.22   0.26    -0.07   0.10   0.16
    13   1     0.44   0.16   0.00     0.09   0.13   0.01    -0.09  -0.05  -0.06
    14   1    -0.05  -0.18  -0.01    -0.18   0.10  -0.02     0.48  -0.23   0.08
    15   1     0.17   0.10  -0.10    -0.12  -0.13  -0.16    -0.19   0.08  -0.34
    16   1    -0.08  -0.00  -0.01    -0.02   0.14  -0.18    -0.18  -0.31  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    333.7030               363.7008               417.4328
 Red. masses --      7.6208                 5.0553                 5.1811
 Frc consts  --      0.5000                 0.3940                 0.5319
 IR Inten    --     19.6766                 4.1529                12.1503
 RamAct Fr= 1--      2.8880                 0.2454                 0.7883
  Dep-P Fr= 1--      0.2019                 0.5991                 0.6484
  Dep-U Fr= 1--      0.3360                 0.7493                 0.7867
 Alpha2 Fr= 1--      0.0390                 0.0007                 0.0014
 Beta2  Fr= 1--      0.1617                 0.0307                 0.1034
 AlphaG Fr= 1--      0.0119                 0.0034                -0.0064
 Gamma2 Fr= 1--      0.0161                -0.0117                 0.2663
 Delta2 Fr= 1--      0.1746                -0.0296                 0.0989
 Raman1 Fr= 1--      11.552                  0.982                  3.153
 ROA1   Fr= 1--       7.128                 -2.071                 28.728
 CID1   Fr= 1--       0.617                 -2.109                  9.111
 Raman2 Fr= 1--       1.941                  0.368                  1.240
 ROA2   Fr= 1--      -1.011                 -0.044                  5.600
 CID2   Fr= 1--      -0.521                 -0.119                  4.515
 Raman3 Fr= 1--       3.881                  0.736                  2.481
 ROA3   Fr= 1--       7.128                 -2.071                 28.728
 CID3   Fr= 1--       1.837                 -2.815                 11.581
 RC180  Fr= 1--      -0.328                  0.499                  0.573
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01  -0.04    -0.02   0.01  -0.01    -0.03   0.11   0.06
     2   8    -0.09  -0.00   0.04     0.05  -0.01   0.01    -0.12   0.12  -0.09
     3   8    -0.15   0.10  -0.03    -0.07   0.15  -0.03     0.00   0.07  -0.03
     4   6    -0.07  -0.04   0.01    -0.01   0.02   0.02    -0.02   0.02   0.22
     5   6     0.15  -0.08   0.12     0.00   0.04   0.06    -0.01  -0.03   0.20
     6   6     0.19  -0.05   0.12     0.02  -0.02   0.03    -0.05  -0.10   0.04
     7   8     0.32   0.26   0.06     0.06   0.08   0.01    -0.02  -0.14  -0.07
     8   8    -0.20   0.01   0.13     0.34  -0.12  -0.05     0.09  -0.03  -0.05
     9   8     0.06  -0.13  -0.24    -0.26  -0.08   0.04     0.25   0.09  -0.08
    10   8    -0.04  -0.08  -0.10    -0.12  -0.05  -0.04    -0.10  -0.13  -0.07
    11   1    -0.17   0.03   0.02    -0.08   0.10   0.03    -0.16  -0.06   0.27
    12   1     0.22   0.14   0.15     0.03   0.07   0.06    -0.16   0.02   0.26
    13   1    -0.06  -0.21  -0.05    -0.14  -0.13  -0.01    -0.10  -0.14  -0.08
    14   1    -0.25   0.10  -0.05    -0.21   0.16  -0.07    -0.00   0.07  -0.02
    15   1    -0.35  -0.10  -0.00     0.57   0.15  -0.26     0.11   0.13  -0.55
    16   1     0.04  -0.36  -0.15    -0.25  -0.34   0.06     0.15   0.25   0.20
                     10                     11                     12
                      A                      A                      A
 Frequencies --    473.7899               517.7383               537.6214
 Red. masses --      1.3752                 3.3865                 1.9009
 Frc consts  --      0.1819                 0.5348                 0.3237
 IR Inten    --     28.1515                11.8291                80.1549
 RamAct Fr= 1--      0.9842                 4.0993                 0.9951
  Dep-P Fr= 1--      0.5315                 0.4419                 0.1023
  Dep-U Fr= 1--      0.6941                 0.6130                 0.1856
 Alpha2 Fr= 1--      0.0042                 0.0260                 0.0173
 Beta2  Fr= 1--      0.1138                 0.4188                 0.0308
 AlphaG Fr= 1--      0.0121                 0.0180                 0.0346
 Gamma2 Fr= 1--      0.3277                -1.9465                 0.0871
 Delta2 Fr= 1--      0.0419                -1.1181                -0.0215
 Raman1 Fr= 1--       3.937                 16.397                  3.981
 ROA1   Fr= 1--      32.803               -222.647                  7.677
 CID1   Fr= 1--       8.333                -13.578                  1.929
 Raman2 Fr= 1--       1.366                  5.026                  0.369
 ROA2   Fr= 1--       7.530                -37.772                  2.263
 CID2   Fr= 1--       5.512                 -7.516                  6.126
 Raman3 Fr= 1--       2.732                 10.051                  0.739
 ROA3   Fr= 1--      32.803               -222.647                  7.677
 CID3   Fr= 1--      12.006                -22.151                 10.392
 RC180  Fr= 1--       0.388                  0.226                 -0.629
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.03    -0.05  -0.09   0.01    -0.03  -0.01   0.10
     2   8     0.01  -0.04   0.00     0.14  -0.14   0.06    -0.02  -0.04  -0.03
     3   8    -0.01   0.01  -0.02    -0.06  -0.06  -0.00    -0.03   0.02  -0.04
     4   6     0.02   0.02   0.04    -0.02   0.09  -0.03     0.02   0.02   0.11
     5   6     0.00   0.03   0.01     0.02   0.11  -0.05    -0.01  -0.04  -0.03
     6   6     0.01  -0.03   0.02     0.07  -0.03  -0.04     0.02   0.02  -0.11
     7   8     0.02  -0.02   0.02     0.07  -0.05   0.01    -0.01   0.04   0.02
     8   8     0.01   0.06  -0.07    -0.03   0.13   0.01     0.01   0.05  -0.07
     9   8    -0.00   0.05   0.00    -0.00   0.16   0.04     0.03  -0.06  -0.06
    10   8    -0.05  -0.05  -0.03    -0.11  -0.12  -0.03     0.04   0.02   0.06
    11   1     0.02   0.02   0.04     0.01   0.13  -0.05     0.09  -0.05   0.11
    12   1    -0.03   0.10   0.03     0.06   0.11  -0.06    -0.16  -0.19  -0.01
    13   1    -0.06  -0.10  -0.03    -0.15  -0.27  -0.01     0.07   0.07  -0.02
    14   1    -0.09   0.01  -0.01    -0.01  -0.06   0.00    -0.14   0.04   0.02
    15   1     0.15  -0.06   0.81    -0.16   0.15  -0.49     0.11   0.01   0.39
    16   1     0.15   0.13  -0.46    -0.19   0.10   0.60    -0.25  -0.15   0.75
                     13                     14                     15
                      A                      A                      A
 Frequencies --    589.8038               610.7104               671.8309
 Red. masses --      2.6964                 3.1956                 4.2171
 Frc consts  --      0.5526                 0.7022                 1.1215
 IR Inten    --     46.7171                21.8890                26.7278
 RamAct Fr= 1--      1.3851                 1.6376                 0.5062
  Dep-P Fr= 1--      0.2543                 0.6285                 0.7468
  Dep-U Fr= 1--      0.4054                 0.7719                 0.8551
 Alpha2 Fr= 1--      0.0162                 0.0036                 0.0000
 Beta2  Fr= 1--      0.0936                 0.2107                 0.0721
 AlphaG Fr= 1--     -0.0520                 0.0081                -0.0002
 Gamma2 Fr= 1--      1.1204                 1.0195                -0.6257
 Delta2 Fr= 1--      0.1139                 0.9654                -0.4667
 Raman1 Fr= 1--       5.541                  6.551                  2.025
 ROA1   Fr= 1--     111.207                128.761                -75.005
 CID1   Fr= 1--      20.072                 19.656                -37.040
 Raman2 Fr= 1--       1.123                  2.528                  0.866
 ROA2   Fr= 1--      25.979                 16.744                -11.284
 CID2   Fr= 1--      23.130                  6.623                -13.035
 Raman3 Fr= 1--       2.246                  5.056                  1.731
 ROA3   Fr= 1--     111.207                128.761                -75.005
 CID3   Fr= 1--      49.505                 25.465                -43.319
 RC180  Fr= 1--      -0.189                  0.544                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01   0.17    -0.05  -0.07   0.00    -0.08   0.11  -0.07
     2   8    -0.07  -0.02  -0.07     0.04  -0.12   0.03     0.17   0.06   0.03
     3   8    -0.00   0.06  -0.07    -0.11   0.01  -0.03    -0.06  -0.12   0.04
     4   6     0.06  -0.05   0.08     0.07   0.08   0.06    -0.17   0.09   0.05
     5   6    -0.02   0.02  -0.14     0.05  -0.07   0.06    -0.16  -0.08  -0.01
     6   6     0.08  -0.00  -0.14    -0.06   0.03   0.02    -0.03  -0.08  -0.14
     7   8     0.05   0.04   0.09    -0.09  -0.02  -0.02     0.01   0.18   0.08
     8   8    -0.02  -0.04   0.02     0.06   0.20  -0.03     0.04  -0.02  -0.02
     9   8    -0.03   0.04   0.09     0.05  -0.15  -0.01     0.05  -0.01  -0.01
    10   8     0.02  -0.05   0.04     0.02   0.09   0.01     0.10  -0.12   0.04
    11   1     0.29  -0.23   0.05     0.03   0.15   0.06    -0.31   0.19   0.06
    12   1    -0.15  -0.07  -0.13     0.01  -0.10   0.07    -0.36  -0.22   0.02
    13   1     0.04  -0.04  -0.10     0.01   0.10   0.08     0.16   0.05  -0.02
    14   1    -0.14   0.08   0.07    -0.14   0.00  -0.03     0.34  -0.18  -0.20
    15   1    -0.17  -0.03  -0.48    -0.13   0.17  -0.54     0.20   0.13  -0.04
    16   1     0.18   0.16  -0.56     0.25  -0.09  -0.60     0.14   0.22  -0.30
                     16                     17                     18
                      A                      A                      A
 Frequencies --    736.8360               753.8405               757.8937
 Red. masses --      1.2721                 3.9115                 6.0088
 Frc consts  --      0.4069                 1.3096                 2.0335
 IR Inten    --     89.1039                 1.5708                15.9919
 RamAct Fr= 1--      0.8957                 0.0456                 7.4910
  Dep-P Fr= 1--      0.2400                 0.6311                 0.0568
  Dep-U Fr= 1--      0.3871                 0.7738                 0.1074
 Alpha2 Fr= 1--      0.0109                 0.0001                 0.1456
 Beta2  Fr= 1--      0.0578                 0.0059                 0.1341
 AlphaG Fr= 1--      0.0547                -0.0026                -0.0548
 Gamma2 Fr= 1--     -0.0035                 0.1556                 0.4483
 Delta2 Fr= 1--      0.1591                 0.0381                -0.1114
 Raman1 Fr= 1--       3.583                  0.182                 29.964
 ROA1   Fr= 1--       4.755                 16.153                 39.469
 CID1   Fr= 1--       1.327                 88.524                  1.317
 Raman2 Fr= 1--       0.693                  0.071                  1.610
 ROA2   Fr= 1--      -1.357                  3.430                 11.649
 CID2   Fr= 1--      -1.957                 48.574                  7.237
 Raman3 Fr= 1--       1.387                  0.141                  3.219
 ROA3   Fr= 1--       4.755                 16.153                 39.469
 CID3   Fr= 1--       3.429                114.395                 12.260
 RC180  Fr= 1--      -0.226                  0.548                 -0.785
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.11   0.10   0.28     0.18  -0.19  -0.15
     2   8     0.01   0.01   0.02     0.07   0.00  -0.09    -0.19  -0.11   0.02
     3   8     0.02  -0.03  -0.06    -0.05  -0.03  -0.03     0.10   0.14   0.07
     4   6    -0.01   0.00  -0.03     0.01   0.00  -0.09     0.11  -0.04   0.00
     5   6    -0.03  -0.01  -0.01    -0.01  -0.01  -0.11    -0.12  -0.03   0.02
     6   6    -0.05  -0.04   0.06    -0.13  -0.09   0.26    -0.16  -0.16   0.06
     7   8    -0.01   0.05  -0.01    -0.01   0.08  -0.07    -0.04   0.19  -0.01
     8   8     0.01   0.01  -0.01     0.02   0.01   0.02     0.02   0.11  -0.00
     9   8     0.01   0.01  -0.00     0.02  -0.02   0.01    -0.04   0.11   0.01
    10   8     0.04  -0.03  -0.01     0.06  -0.04  -0.06     0.16  -0.17  -0.01
    11   1     0.04  -0.00  -0.04     0.36  -0.17  -0.16     0.06   0.08  -0.01
    12   1     0.03   0.02  -0.02     0.33   0.16  -0.16    -0.15   0.06   0.05
    13   1     0.05   0.03   0.02     0.05   0.05   0.16     0.23   0.16   0.04
    14   1    -0.24   0.13   0.95     0.22  -0.12  -0.53    -0.18   0.07  -0.61
    15   1    -0.00   0.00  -0.03     0.04   0.02   0.04    -0.13   0.00  -0.13
    16   1    -0.01   0.04   0.03    -0.03   0.03   0.16    -0.09   0.17   0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    894.4386               905.1655               936.4318
 Red. masses --      1.4505                 2.3246                 4.1013
 Frc consts  --      0.6837                 1.1221                 2.1190
 IR Inten    --     64.7487                30.8030                 0.6842
 RamAct Fr= 1--      1.0025                 0.3244                 3.0749
  Dep-P Fr= 1--      0.5833                 0.3588                 0.1692
  Dep-U Fr= 1--      0.7368                 0.5281                 0.2895
 Alpha2 Fr= 1--      0.0031                 0.0028                 0.0453
 Beta2  Fr= 1--      0.1231                 0.0285                 0.1484
 AlphaG Fr= 1--     -0.0212                -0.0085                 0.0424
 Gamma2 Fr= 1--      0.8648                 0.5193                -0.7484
 Delta2 Fr= 1--      0.5347                 0.3304                -0.1576
 Raman1 Fr= 1--       4.010                  1.298                 12.300
 ROA1   Fr= 1--     100.129                 60.423                -76.891
 CID1   Fr= 1--      24.971                 46.568                 -6.252
 Raman2 Fr= 1--       1.477                  0.343                  1.780
 ROA2   Fr= 1--      16.476                  9.819                -16.702
 CID2   Fr= 1--      11.153                 28.660                 -9.381
 Raman3 Fr= 1--       2.955                  0.685                  3.561
 ROA3   Fr= 1--     100.129                 60.423                -76.891
 CID3   Fr= 1--      33.890                 88.183                -21.595
 RC180  Fr= 1--       0.474                  0.056                 -0.421
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.02   0.05  -0.08    -0.01  -0.04   0.16
     2   8    -0.03  -0.02  -0.02     0.04   0.06  -0.01    -0.05  -0.08  -0.03
     3   8     0.05   0.02   0.01    -0.11  -0.04  -0.01     0.15   0.04   0.00
     4   6    -0.07   0.02   0.01     0.15  -0.06   0.06    -0.21   0.11  -0.10
     5   6    -0.09  -0.04  -0.06     0.12   0.05   0.05     0.22   0.11   0.09
     6   6     0.04   0.02   0.03    -0.05  -0.02  -0.09    -0.05  -0.02  -0.17
     7   8     0.05  -0.02   0.02    -0.08   0.04   0.01    -0.12   0.04   0.01
     8   8     0.01   0.02  -0.01    -0.02  -0.03   0.00    -0.04  -0.04   0.02
     9   8     0.02  -0.02  -0.00    -0.03   0.05   0.01     0.02  -0.03  -0.01
    10   8    -0.01   0.04  -0.04     0.04  -0.06  -0.03     0.05  -0.08   0.01
    11   1    -0.06   0.05  -0.00     0.15  -0.18   0.09    -0.39   0.21  -0.06
    12   1    -0.13  -0.09  -0.06     0.09   0.12   0.07     0.42   0.19   0.05
    13   1    -0.21  -0.16   0.91    -0.09  -0.04   0.83     0.03   0.05   0.31
    14   1    -0.02   0.02   0.01     0.05  -0.04   0.05    -0.07   0.06   0.01
    15   1     0.09   0.09  -0.03    -0.17  -0.19   0.07     0.21   0.21  -0.01
    16   1     0.01   0.14  -0.00    -0.03  -0.17   0.03     0.09  -0.32  -0.14
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1020.2756              1127.1730              1137.4767
 Red. masses --      5.9687                 5.4793                 5.5608
 Frc consts  --      3.6607                 4.1016                 4.2391
 IR Inten    --     17.3205               176.5827                33.6898
 RamAct Fr= 1--      5.8513                 1.2716                 1.2835
  Dep-P Fr= 1--      0.2096                 0.7498                 0.7482
  Dep-U Fr= 1--      0.3466                 0.8570                 0.8560
 Alpha2 Fr= 1--      0.0775                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3380                 0.1816                 0.1831
 AlphaG Fr= 1--      0.0273                -0.0008                 0.0016
 Gamma2 Fr= 1--     -0.8219                 0.3896                -0.1275
 Delta2 Fr= 1--      0.3652                 0.2853                -0.4061
 Raman1 Fr= 1--      23.405                  5.087                  5.134
 ROA1   Fr= 1--     -67.211                 46.526                -25.232
 CID1   Fr= 1--      -2.872                  9.147                 -4.915
 Raman2 Fr= 1--       4.056                  2.180                  2.197
 ROA2   Fr= 1--     -22.646                  7.067                  0.189
 CID2   Fr= 1--      -5.584                  3.242                  0.086
 Raman3 Fr= 1--       8.111                  4.359                  4.394
 ROA3   Fr= 1--     -67.211                 46.526                -25.232
 CID3   Fr= 1--      -8.286                 10.673                 -5.742
 RC180  Fr= 1--      -0.307                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.04  -0.17    -0.04  -0.01  -0.05    -0.05  -0.01   0.04
     2   8    -0.00   0.01   0.04    -0.01  -0.03   0.01    -0.00  -0.07   0.01
     3   8    -0.01   0.00   0.03     0.01   0.02   0.00     0.01   0.03  -0.01
     4   6    -0.10   0.11   0.38     0.16   0.13  -0.03     0.26   0.41  -0.04
     5   6     0.19   0.10  -0.37    -0.22   0.38   0.05     0.02  -0.18   0.05
     6   6    -0.07  -0.04   0.16     0.02   0.05  -0.02    -0.01  -0.03   0.05
     7   8    -0.02   0.01  -0.05    -0.01   0.01   0.00     0.01  -0.00  -0.00
     8   8    -0.09  -0.09  -0.04    -0.06  -0.10  -0.00    -0.12  -0.24  -0.04
     9   8     0.02  -0.05   0.04     0.11  -0.29   0.01    -0.04   0.10  -0.02
    10   8     0.01  -0.00  -0.02     0.01  -0.08  -0.01    -0.00   0.03  -0.00
    11   1    -0.09   0.10   0.37     0.26   0.02  -0.05     0.07   0.59  -0.05
    12   1     0.22   0.11  -0.37    -0.06   0.59   0.08    -0.26  -0.41   0.07
    13   1     0.05   0.07  -0.15     0.00  -0.07  -0.01    -0.01   0.04   0.05
    14   1    -0.04   0.00   0.01     0.07   0.01   0.03     0.07   0.03   0.05
    15   1     0.29   0.26  -0.05    -0.03  -0.08  -0.00     0.03  -0.09  -0.02
    16   1     0.04  -0.14  -0.00     0.01   0.40   0.14    -0.02  -0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1222.1990              1241.4673              1264.9717
 Red. masses --      1.4129                 1.6103                 1.4161
 Frc consts  --      1.2435                 1.4623                 1.3351
 IR Inten    --     68.1414                10.2251                 5.3623
 RamAct Fr= 1--      4.9668                 2.9584                 5.3614
  Dep-P Fr= 1--      0.5293                 0.5279                 0.1643
  Dep-U Fr= 1--      0.6922                 0.6910                 0.2823
 Alpha2 Fr= 1--      0.0212                 0.0127                 0.0799
 Beta2  Fr= 1--      0.5730                 0.3407                 0.2522
 AlphaG Fr= 1--      0.0070                 0.0081                -0.0213
 Gamma2 Fr= 1--      0.9397                -0.8432                 0.8624
 Delta2 Fr= 1--      0.5249                -0.5978                 0.3213
 Raman1 Fr= 1--      19.867                 11.834                 21.446
 ROA1   Fr= 1--     107.006               -100.076                 93.072
 CID1   Fr= 1--       5.386                 -8.457                  4.340
 Raman2 Fr= 1--       6.876                  4.088                  3.027
 ROA2   Fr= 1--      18.353                -15.454                 18.127
 CID2   Fr= 1--       2.669                 -3.780                  5.989
 Raman3 Fr= 1--      13.752                  8.177                  6.053
 ROA3   Fr= 1--     107.006               -100.076                 93.072
 CID3   Fr= 1--       7.781                -12.239                 15.375
 RC180  Fr= 1--       0.384                  0.382                 -0.435
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02  -0.00    -0.08   0.02  -0.04    -0.10   0.01  -0.08
     2   8     0.01   0.04  -0.00    -0.01  -0.05   0.01    -0.02  -0.06   0.02
     3   8    -0.05  -0.05   0.00     0.04   0.04   0.01     0.04   0.05   0.01
     4   6    -0.03   0.04  -0.00    -0.02   0.01   0.05    -0.03   0.00   0.01
     5   6    -0.04  -0.04   0.06    -0.02  -0.10   0.01    -0.01   0.02   0.04
     6   6     0.00  -0.02  -0.04    -0.01  -0.09  -0.08     0.01   0.05   0.02
     7   8     0.01  -0.00   0.01     0.03  -0.00   0.02    -0.02   0.00  -0.01
     8   8    -0.05  -0.01   0.00     0.02  -0.00  -0.01    -0.01   0.01   0.01
     9   8     0.00   0.01  -0.01    -0.01   0.00   0.00     0.01   0.02  -0.01
    10   8    -0.01   0.02   0.00    -0.02   0.07   0.01     0.02  -0.03  -0.00
    11   1     0.52  -0.18  -0.12     0.19   0.00  -0.01     0.52  -0.39  -0.07
    12   1     0.28   0.10  -0.00     0.57   0.56  -0.01     0.02  -0.39  -0.07
    13   1    -0.00   0.08   0.02    -0.00   0.12  -0.00    -0.00  -0.14  -0.03
    14   1    -0.45  -0.03  -0.11     0.34   0.02   0.09     0.43   0.03   0.11
    15   1     0.40   0.42  -0.05    -0.12  -0.14   0.02     0.19   0.18   0.02
    16   1     0.01   0.05  -0.02    -0.04   0.32   0.05     0.04  -0.29  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1296.6459              1339.3920              1371.4172
 Red. masses --      2.5429                 1.1800                 1.1789
 Frc consts  --      2.5190                 1.2473                 1.3064
 IR Inten    --    120.8540               105.1891                72.3703
 RamAct Fr= 1--      4.9344                 2.1857                 4.3305
  Dep-P Fr= 1--      0.3743                 0.3988                 0.6652
  Dep-U Fr= 1--      0.5447                 0.5702                 0.7989
 Alpha2 Fr= 1--      0.0400                 0.0163                 0.0065
 Beta2  Fr= 1--      0.4479                 0.2077                 0.5766
 AlphaG Fr= 1--      0.0056                -0.0073                 0.0079
 Gamma2 Fr= 1--      0.0459                -1.7353                 0.1170
 Delta2 Fr= 1--      0.0635                -0.2109                -0.4762
 Raman1 Fr= 1--      19.737                  8.743                 17.322
 ROA1   Fr= 1--       6.434               -173.342                 -4.008
 CID1   Fr= 1--       0.326                -19.826                 -0.231
 Raman2 Fr= 1--       5.375                  2.493                  6.920
 ROA2   Fr= 1--       0.593                -39.960                  6.618
 CID2   Fr= 1--       0.110                -16.032                  0.956
 Raman3 Fr= 1--      10.751                  4.985                 13.839
 ROA3   Fr= 1--       6.434               -173.342                 -4.008
 CID3   Fr= 1--       0.598                -34.773                 -0.290
 RC180  Fr= 1--       0.089                  0.140                  0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00   0.01
     2   8    -0.01   0.02  -0.00     0.01   0.03  -0.00    -0.01  -0.00  -0.00
     3   8    -0.00  -0.00  -0.00     0.02  -0.01   0.01    -0.02   0.01  -0.01
     4   6     0.01   0.00   0.02    -0.04  -0.03   0.06    -0.00  -0.09   0.00
     5   6     0.03  -0.13   0.00    -0.05   0.03   0.02     0.04  -0.03  -0.01
     6   6     0.07   0.27   0.04     0.01   0.02   0.00     0.00   0.02   0.01
     7   8    -0.08   0.01  -0.02    -0.01   0.00  -0.00    -0.01   0.00  -0.00
     8   8    -0.00   0.00  -0.00     0.02  -0.01  -0.03    -0.04   0.00  -0.01
     9   8    -0.06  -0.02  -0.02     0.01   0.01  -0.01     0.00  -0.00   0.02
    10   8     0.06  -0.13  -0.00     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    11   1    -0.10   0.02   0.06     0.33   0.62  -0.19     0.26   0.54  -0.21
    12   1     0.37   0.08  -0.05     0.33  -0.26  -0.16    -0.40   0.37   0.22
    13   1    -0.03  -0.48  -0.07    -0.01  -0.11   0.00    -0.00  -0.02  -0.00
    14   1    -0.01  -0.00   0.00    -0.19  -0.01  -0.06     0.30   0.01   0.09
    15   1     0.06   0.06  -0.01    -0.26  -0.28  -0.01     0.25   0.26  -0.02
    16   1    -0.10   0.68   0.05     0.02  -0.21  -0.04     0.01  -0.05   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1385.3234              1409.8370              1430.0101
 Red. masses --      1.4176                 1.4493                 2.0953
 Frc consts  --      1.6029                 1.6972                 2.5245
 IR Inten    --    275.0836               122.6179               196.7509
 RamAct Fr= 1--      2.8258                 1.5232                 1.4334
  Dep-P Fr= 1--      0.4155                 0.3712                 0.5113
  Dep-U Fr= 1--      0.5871                 0.5414                 0.6767
 Alpha2 Fr= 1--      0.0198                 0.0125                 0.0067
 Beta2  Fr= 1--      0.2765                 0.1374                 0.1617
 AlphaG Fr= 1--     -0.0104                 0.0304                -0.0148
 Gamma2 Fr= 1--     -1.8623                 0.5336                -0.0021
 Delta2 Fr= 1--     -0.1249                 0.6614                 0.3516
 Raman1 Fr= 1--      11.303                  6.093                  5.734
 ROA1   Fr= 1--    -182.781                 72.395                 11.047
 CID1   Fr= 1--     -16.171                 11.882                  1.927
 Raman2 Fr= 1--       3.318                  1.649                  1.940
 ROA2   Fr= 1--     -43.697                  7.516                 -2.863
 CID2   Fr= 1--     -13.169                  4.557                 -1.476
 Raman3 Fr= 1--       6.636                  3.299                  3.880
 ROA3   Fr= 1--    -182.781                 72.395                 11.047
 CID3   Fr= 1--     -27.543                 21.946                  2.847
 RC180  Fr= 1--       0.174                  0.083                  0.353
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.00   0.04     0.08  -0.01   0.01     0.19  -0.03   0.03
     2   8    -0.02  -0.02  -0.00    -0.01  -0.01  -0.00    -0.03  -0.01  -0.00
     3   8    -0.08   0.02  -0.03    -0.04   0.01  -0.01    -0.10   0.01  -0.02
     4   6     0.07  -0.06   0.00    -0.09   0.03   0.00    -0.10   0.12  -0.01
     5   6    -0.07   0.03   0.01     0.10   0.04   0.03    -0.06  -0.05  -0.03
     6   6     0.00  -0.01  -0.01    -0.03   0.00   0.01     0.04   0.06   0.01
     7   8     0.01  -0.00   0.01     0.03  -0.01   0.00    -0.03   0.00  -0.01
     8   8    -0.03   0.00   0.00     0.02  -0.01  -0.01     0.05  -0.01  -0.00
     9   8     0.00   0.01  -0.01    -0.04  -0.03  -0.02     0.04   0.02   0.02
    10   8    -0.01  -0.00  -0.00    -0.02  -0.02  -0.01     0.01  -0.02  -0.00
    11   1    -0.38   0.19   0.08     0.30   0.01  -0.12     0.11  -0.23   0.00
    12   1     0.47  -0.29  -0.23    -0.17  -0.36   0.02    -0.05   0.39   0.08
    13   1     0.01   0.16   0.04     0.05   0.46   0.08    -0.01  -0.17  -0.00
    14   1     0.50   0.01   0.15     0.25  -0.00   0.06     0.40  -0.01   0.10
    15   1     0.25   0.26  -0.00    -0.16  -0.18   0.01    -0.31  -0.35   0.05
    16   1     0.01  -0.03  -0.04    -0.08   0.59   0.04     0.07  -0.50  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1472.0672              1785.3903              1820.1838
 Red. masses --      1.5115                 9.0202                 8.2062
 Frc consts  --      1.9298                16.9408                16.0186
 IR Inten    --    155.5918               320.8943               292.6858
 RamAct Fr= 1--      1.0831                23.5961                11.5340
  Dep-P Fr= 1--      0.3525                 0.0947                 0.4442
  Dep-U Fr= 1--      0.5213                 0.1730                 0.6151
 Alpha2 Fr= 1--      0.0094                 0.4185                 0.0724
 Beta2  Fr= 1--      0.0941                 0.6804                 1.1825
 AlphaG Fr= 1--      0.0071                -0.0500                 0.0644
 Gamma2 Fr= 1--     -0.4217                -0.7732                 0.1927
 Delta2 Fr= 1--      0.0442                -0.0216                -0.0132
 Raman1 Fr= 1--       4.332                 94.384                 46.136
 ROA1   Fr= 1--     -39.071                -74.917                 18.081
 CID1   Fr= 1--      -9.019                 -0.794                  0.392
 Raman2 Fr= 1--       1.129                  8.165                 14.190
 ROA2   Fr= 1--     -10.475                -18.384                  4.731
 CID2   Fr= 1--      -9.276                 -2.252                  0.333
 Raman3 Fr= 1--       2.258                 16.330                 28.380
 ROA3   Fr= 1--     -39.071                -74.917                 18.081
 CID3   Fr= 1--     -17.300                 -4.588                  0.637
 RC180  Fr= 1--       0.043                 -0.654                  0.230
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.01     0.16   0.59  -0.08    -0.10  -0.30   0.03
     2   8     0.01  -0.01   0.00    -0.08  -0.35   0.05     0.05   0.17  -0.02
     3   8     0.03  -0.00   0.01     0.00  -0.06   0.01     0.01   0.03  -0.00
     4   6     0.02  -0.00   0.01    -0.00  -0.05   0.01    -0.01   0.01  -0.00
     5   6    -0.05  -0.05  -0.02     0.00   0.00  -0.01    -0.02  -0.00  -0.00
     6   6     0.02   0.13   0.02     0.30  -0.09   0.07     0.52  -0.24   0.10
     7   8     0.03  -0.03   0.00    -0.18   0.06  -0.04    -0.32   0.11  -0.07
     8   8     0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.01  -0.00
     9   8     0.01   0.02   0.01    -0.01   0.00   0.00     0.00   0.01  -0.00
    10   8    -0.03  -0.10  -0.02    -0.04  -0.00  -0.01    -0.06   0.03  -0.01
    11   1    -0.04  -0.01   0.03    -0.01   0.10  -0.01     0.03  -0.05  -0.01
    12   1     0.05   0.18   0.00    -0.06  -0.02  -0.01    -0.03  -0.10   0.00
    13   1     0.12   0.89   0.12     0.14   0.19   0.09     0.04   0.54   0.07
    14   1    -0.13   0.00  -0.03    -0.47   0.02  -0.12     0.22  -0.00   0.06
    15   1    -0.00  -0.00   0.00    -0.02  -0.02  -0.01     0.02   0.03   0.00
    16   1     0.04  -0.29  -0.02    -0.04   0.15   0.01    -0.04   0.19  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3001.1265              3021.8027              3219.4006
 Red. masses --      1.0820                 1.0840                 1.0738
 Frc consts  --      5.7417                 5.8321                 6.5572
 IR Inten    --     13.2219                14.2386               844.9797
 RamAct Fr= 1--    118.6498                24.5118                84.9734
  Dep-P Fr= 1--      0.1518                 0.2096                 0.2161
  Dep-U Fr= 1--      0.2635                 0.3465                 0.3555
 Alpha2 Fr= 1--      1.8260                 0.3245                 1.1052
 Beta2  Fr= 1--      5.2117                 1.4155                 5.0342
 AlphaG Fr= 1--     -0.2221                -0.0860                -0.0046
 Gamma2 Fr= 1--     -3.5571                 2.8556                 0.0048
 Delta2 Fr= 1--     -4.6337                 6.0633                 1.4181
 Raman1 Fr= 1--     474.599                 98.047                339.893
 ROA1   Fr= 1--    -489.762                468.160                 45.840
 CID1   Fr= 1--      -1.032                  4.775                  0.135
 Raman2 Fr= 1--      62.540                 16.986                 60.410
 ROA2   Fr= 1--     -48.301                 20.027                -11.230
 CID2   Fr= 1--      -0.772                  1.179                 -0.186
 Raman3 Fr= 1--     125.080                 33.973                120.820
 ROA3   Fr= 1--    -489.762                468.160                 45.840
 CID3   Fr= 1--      -3.916                 13.780                  0.379
 RC180  Fr= 1--      -0.473                 -0.307                 -0.289
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     2   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     3   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.02  -0.01  -0.07    -0.01  -0.01  -0.03     0.00   0.00  -0.00
     5   6     0.01  -0.01   0.03    -0.02   0.02  -0.07     0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     7   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.06   0.01  -0.01
    11   1     0.26   0.19   0.87     0.10   0.07   0.35    -0.00   0.00  -0.00
    12   1    -0.11   0.09  -0.35     0.26  -0.21   0.86    -0.00  -0.00  -0.00
    13   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.97  -0.19   0.16
    14   1     0.00   0.01  -0.00     0.00   0.00  -0.00     0.01   0.03  -0.00
    15   1     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.01  -0.00
    16   1     0.01   0.00   0.00    -0.01  -0.00  -0.01    -0.02   0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3584.5675              3589.3900              3677.8414
 Red. masses --      1.0645                 1.0643                 1.0651
 Frc consts  --      8.0585                 8.0792                 8.4883
 IR Inten    --    178.1773               198.4792               109.3392
 RamAct Fr= 1--     72.2590                20.6687                30.2289
  Dep-P Fr= 1--      0.0577                 0.1320                 0.1046
  Dep-U Fr= 1--      0.1091                 0.2332                 0.1894
 Alpha2 Fr= 1--      1.4014                 0.3344                 0.5233
 Beta2  Fr= 1--      1.3137                 0.8033                 0.9545
 AlphaG Fr= 1--      0.0583                 0.0658                -0.0385
 Gamma2 Fr= 1--     -4.2440                 5.4334                -0.9784
 Delta2 Fr= 1--     -2.5033                 2.2756                -0.3794
 Raman1 Fr= 1--     289.036                 82.675                120.916
 ROA1   Fr= 1--    -487.533                594.429               -106.064
 CID1   Fr= 1--      -1.687                  7.190                 -0.877
 Raman2 Fr= 1--      15.764                  9.639                 11.454
 ROA2   Fr= 1--     -81.831                112.198                -20.446
 CID2   Fr= 1--      -5.191                 11.640                 -1.785
 Raman3 Fr= 1--      31.529                 19.278                 22.907
 ROA3   Fr= 1--    -487.533                594.429               -106.064
 CID3   Fr= 1--     -15.463                 30.834                 -4.630
 RC180  Fr= 1--      -0.782                 -0.534                 -0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   8     0.00   0.02  -0.00    -0.00  -0.06   0.01     0.00   0.01  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.04  -0.04  -0.01
     9   8    -0.05  -0.00  -0.02    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00
    10   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.01
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1     0.03  -0.00   0.00    -0.02   0.00  -0.00    -0.01   0.00  -0.00
    14   1    -0.02  -0.30   0.04     0.07   0.94  -0.12    -0.00  -0.10   0.01
    15   1     0.07  -0.08  -0.02    -0.05   0.05   0.01    -0.66   0.71   0.20
    16   1     0.89   0.04   0.30     0.29   0.01   0.10     0.08   0.00   0.03

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   865.735951667.363582402.00096
           X            0.99999   0.00406  -0.00272
           Y           -0.00407   0.99999  -0.00149
           Z            0.00271   0.00150   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10005     0.05195     0.03606
 Rotational constants (GHZ):           2.08463     1.08239     0.75135
 Zero-point vibrational energy     304952.0 (Joules/Mol)
                                   72.88527 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    103.77   126.21   164.83   328.20   343.68
          (Kelvin)            465.74   480.12   523.28   600.59   681.68
                              744.91   773.52   848.60   878.68   966.61
                             1060.14  1084.61  1090.44  1286.90  1302.33
                             1347.32  1467.95  1621.75  1636.58  1758.47
                             1786.19  1820.01  1865.58  1927.09  1973.16
                             1993.17  2028.44  2057.47  2117.98  2568.78
                             2618.84  4317.95  4347.70  4632.00  5157.39
                             5164.33  5291.59
 
 Zero-point correction=                           0.116150 (Hartree/Particle)
 Thermal correction to Energy=                    0.125383
 Thermal correction to Enthalpy=                  0.126327
 Thermal correction to Gibbs Free Energy=         0.081403
 Sum of electronic and zero-point Energies=           -607.579004
 Sum of electronic and thermal Energies=              -607.569771
 Sum of electronic and thermal Enthalpies=            -607.568827
 Sum of electronic and thermal Free Energies=         -607.613750
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   78.679             34.154             94.550
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.629
 Vibrational             76.902             28.193             23.994
 Vibration     1          0.598              1.967              4.094
 Vibration     2          0.601              1.958              3.710
 Vibration     3          0.607              1.937              3.190
 Vibration     4          0.651              1.798              1.894
 Vibration     5          0.657              1.781              1.811
 Vibration     6          0.708              1.628              1.291
 Vibration     7          0.715              1.608              1.242
 Vibration     8          0.737              1.547              1.106
 Vibration     9          0.780              1.432              0.901
 Vibration    10          0.831              1.308              0.727
 Vibration    11          0.873              1.211              0.615
 Vibration    12          0.893              1.167              0.570
 Vibration    13          0.947              1.054              0.468
 Vibration    14          0.970              1.009              0.432
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.360606D-37        -37.442967        -86.215617
 Total V=0       0.960087D+16         15.982311         36.800630
 Vib (Bot)       0.749085D-51        -51.125469       -117.720743
 Vib (Bot)    1  0.285867D+01          0.456164          1.050356
 Vib (Bot)    2  0.234481D+01          0.370108          0.852206
 Vib (Bot)    3  0.178599D+01          0.251879          0.579972
 Vib (Bot)    4  0.864137D+00         -0.063418         -0.146025
 Vib (Bot)    5  0.821299D+00         -0.085499         -0.196868
 Vib (Bot)    6  0.579430D+00         -0.236999         -0.545711
 Vib (Bot)    7  0.558637D+00         -0.252870         -0.582255
 Vib (Bot)    8  0.502713D+00         -0.298680         -0.687735
 Vib (Bot)    9  0.421464D+00         -0.375239         -0.864020
 Vib (Bot)   10  0.354871D+00         -0.449929         -1.036000
 Vib (Bot)   11  0.312413D+00         -0.505271         -1.163430
 Vib (Bot)   12  0.295358D+00         -0.529651         -1.219567
 Vib (Bot)   13  0.255819D+00         -0.592067         -1.363284
 Vib (Bot)   14  0.241804D+00         -0.616536         -1.419627
 Vib (V=0)       0.199438D+03          2.299808          5.295505
 Vib (V=0)    1  0.340207D+01          0.531743          1.224383
 Vib (V=0)    2  0.289753D+01          0.462028          1.063859
 Vib (V=0)    3  0.235466D+01          0.371928          0.856395
 Vib (V=0)    4  0.149836D+01          0.175618          0.404374
 Vib (V=0)    5  0.146153D+01          0.164807          0.379481
 Vib (V=0)    6  0.126534D+01          0.102206          0.235337
 Vib (V=0)    7  0.124972D+01          0.096812          0.222917
 Vib (V=0)    8  0.120903D+01          0.082436          0.189817
 Vib (V=0)    9  0.115394D+01          0.062182          0.143179
 Vib (V=0)   10  0.111313D+01          0.046548          0.107180
 Vib (V=0)   11  0.108958D+01          0.037258          0.085790
 Vib (V=0)   12  0.108072D+01          0.033713          0.077628
 Vib (V=0)   13  0.106164D+01          0.025979          0.059818
 Vib (V=0)   14  0.105540D+01          0.023417          0.053920
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.666561D+06          5.823840         13.409887
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  33           3      33                                        11         1111111111  11  1                                   
     6  55           2      00                                        87         4443332222  11  0  998  777 6 65 554 4333  22  1    
     7  88           1      20                                        28         7318739642  32  2  309  553 7 19 317 1632  32  187  
     8  95           9      21                                        05         2005197512  77  0  654  847 2 10 884 7444  98  582  
 
     X  XX           X      XX                                        XX         XXXXXXXXXX  XX  X  XXX  XXX X XX XXX XXXX  XX  XXX  
     X  XX           X                                                XX         XXXXXXX  X   X       X    X      X                  
     X  XX           X                                                XX         XXXX  X      X                                      
        XX           X                                                XX         XX X         X                                      
        X            X                                                XX          X X                                                
                     X                                                XX            X                                                
                     X                                                XX            X                                                
                     X                                                 X                                                             
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000004074   -0.000001755   -0.000003318
      2        8          -0.000003485   -0.000005707    0.000001032
      3        8           0.000005201    0.000002927   -0.000001410
      4        6           0.000003186    0.000004652    0.000001129
      5        6          -0.000004948    0.000003142   -0.000002528
      6        6          -0.000001929   -0.000008542    0.000005804
      7        8          -0.000004577    0.000006772    0.000000029
      8        8          -0.000000959   -0.000001581    0.000000714
      9        8           0.000003830   -0.000000467   -0.000005605
     10        8           0.000003193   -0.000001110    0.000000388
     11        1          -0.000001423   -0.000001061    0.000001238
     12        1          -0.000003339   -0.000007236   -0.000001271
     13        1           0.000002685    0.000012055    0.000001878
     14        1          -0.000000484   -0.000000824   -0.000000694
     15        1          -0.000002318    0.000000668    0.000001878
     16        1           0.000001293   -0.000001932    0.000000737
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012055 RMS     0.000003735
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.864134D+02  0.167828D-01  0.244961D+01
      2   0.167828D-01  0.777673D+02 -0.492776D+00
      3   0.244961D+01 -0.492776D+00  0.531759D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.400488D+01 -0.812402D+00 -0.525248D+01
      2  -0.156559D+01 -0.476349D+01 -0.295734D+01
      3  -0.141240D+02 -0.104772D+01  0.122734D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.107656D+02  0.222729D+02 -0.454805D+01
      2   0.460614D+01 -0.132799D+02  0.374875D+01
      3   0.615947D+01 -0.899297D+01  0.799298D+00
      4   0.180591D+02 -0.275221D+01 -0.113019D+02
      5  -0.413352D+01 -0.873755D+01 -0.286716D+01
      6  -0.751282D+01  0.816237D+00  0.913312D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.198854D+01 -0.655809D+00 -0.749399D-01  0.270592D+01  0.117057D+01
      2  -0.655809D+00  0.202168D+01 -0.244997D+00  0.117057D+01  0.500108D+01
      3  -0.749399D-01 -0.244997D+00  0.347837D+00 -0.204552D+00 -0.333417D+00
                 6             7             8             9            10 
      1  -0.204552D+00 -0.174402D+01  0.233240D+00  0.258706D+00 -0.244133D+01
      2  -0.333417D+00  0.233240D+00 -0.710403D+00 -0.586419D-01 -0.212821D+01
      3  -0.576015D-01  0.258706D+00 -0.586419D-01 -0.815279D+00  0.221041D+00
                11            12            13            14            15 
      1  -0.212821D+01  0.221041D+00 -0.571415D+01 -0.263248D+00 -0.654656D-01
      2  -0.811880D+00  0.929236D-01 -0.263248D+00 -0.115702D+02  0.625930D+00
      3   0.929236D-01 -0.454445D+00 -0.654656D-01  0.625930D+00 -0.192005D+01
                16            17            18            19            20 
      1   0.949162D+00  0.672065D-01 -0.259382D+00  0.886248D+01  0.271465D+00
      2   0.672065D-01  0.823702D+00 -0.264462D+01  0.271465D+00  0.690452D+00
      3  -0.259382D+00 -0.264462D+01  0.919543D+00  0.511832D+00  0.103534D+00
                21            22            23            24            25 
      1   0.511832D+00 -0.199277D+01  0.129964D+01 -0.173518D+00  0.169793D+01
      2   0.103534D+00  0.129964D+01 -0.310670D+01  0.662633D+00 -0.977255D-01
      3   0.125892D+01 -0.173518D+00  0.662633D+00 -0.144687D+00  0.234901D+01
                26            27            28            29            30 
      1  -0.977255D-01  0.234901D+01  0.516939D+01 -0.959353D+00 -0.725141D+00
      2   0.785913D+00  0.423925D+00 -0.959353D+00 -0.703578D+00  0.425074D+00
      3   0.423925D+00  0.986952D+00 -0.725141D+00  0.425074D+00  0.212219D+01
                31            32            33            34            35 
      1  -0.669301D+00 -0.184345D+01  0.855434D+00 -0.243369D+01  0.595389D+00
      2  -0.184345D+01 -0.113709D+01  0.287734D+00  0.595389D+00  0.251744D+00
      3   0.855434D+00  0.287734D+00  0.152027D+01  0.275418D+01  0.469160D+00
                36            37            38            39            40 
      1   0.275418D+01 -0.505683D+01  0.151441D+01  0.674562D+00 -0.159282D+00
      2   0.469160D+00  0.151441D+01  0.116427D+01  0.583558D+00  0.191713D+01
      3   0.452367D+01  0.674562D+00  0.583558D+00 -0.193234D+01  0.107534D+01
                41            42            43            44            45 
      1   0.191713D+01  0.107534D+01  0.257648D+01  0.100550D+00 -0.269297D+01
      2  -0.174849D+00 -0.121093D+00  0.100550D+00  0.171848D+00  0.121524D+01
      3  -0.121093D+00  0.162751D+01 -0.269297D+01  0.121524D+01 -0.435865D+01
                46            47            48            49            50 
      1   0.677401D+01 -0.245821D+01  0.798547D+00 -0.415272D+01 -0.979675D+00
      2  -0.245821D+01  0.104257D+01 -0.114022D+00 -0.979675D+00  0.157517D+00
      3   0.798547D+00 -0.114022D+00  0.529644D+00 -0.805554D+00 -0.139286D+00
                51            52            53            54            55 
      1  -0.805554D+00  0.148478D+01 -0.326368D+00  0.351919D+00 -0.145851D+02
      2  -0.139286D+00 -0.326368D+00  0.583278D+00 -0.724552D+00  0.203942D+01
      3  -0.106198D+01  0.351919D+00 -0.724552D+00  0.845142D+00 -0.121998D+01
                56            57            58            59            60 
      1   0.203942D+01 -0.121998D+01  0.247287D+01 -0.241964D+01  0.325824D+00
      2  -0.372960D+01  0.681539D-01 -0.241964D+01  0.243019D+01 -0.312605D+00
      3   0.681539D-01 -0.213666D+01  0.325824D+00 -0.312605D+00  0.100466D+01
                61            62            63            64            65 
      1  -0.202431D+01  0.302675D+00 -0.339904D+01  0.511835D+01  0.114999D+01
      2   0.302675D+00 -0.897636D+00  0.759007D+00  0.114999D+01  0.400364D+01
      3  -0.339904D+01  0.759007D+00 -0.167060D+01 -0.641820D+00 -0.511642D+00
                66            67            68            69            70 
      1  -0.641820D+00  0.994091D-02  0.278239D+01 -0.311202D+00 -0.573904D+00
      2  -0.511642D+00  0.278239D+01  0.273760D+01 -0.103343D+01 -0.471034D-01
      3   0.594959D+00 -0.311202D+00 -0.103343D+01 -0.130984D+00  0.729210D+00
                71            72            73            74            75 
      1  -0.471034D-01  0.729210D+00  0.250018D+01  0.129329D+01  0.631164D+00
      2  -0.110145D+01  0.123558D+01  0.129329D+01  0.178322D+01 -0.196002D+00
      3   0.123558D+01 -0.731850D+00  0.631164D+00 -0.196002D+00  0.902503D+00
                76            77            78            79            80 
      1   0.168177D+01 -0.870423D+00 -0.714993D+00  0.117121D+01 -0.373053D+00
      2  -0.870423D+00  0.611551D+01  0.123641D+01 -0.373053D+00  0.176195D+01
      3  -0.714993D+00  0.123641D+01  0.661342D+00 -0.336738D+00  0.156870D+01
                81            82            83            84            85 
      1  -0.336738D+00 -0.765846D+01 -0.146645D+01 -0.689210D+00  0.707537D+00
      2   0.156870D+01 -0.146645D+01 -0.153603D+01 -0.552559D-01 -0.509811D+00
      3   0.114140D+01 -0.689210D+00 -0.552559D-01 -0.223201D+00  0.373004D+00
                86            87            88            89            90 
      1  -0.509811D+00  0.373004D+00 -0.127309D+01  0.619694D-01  0.353647D-01
      2  -0.713478D+01 -0.272152D+00  0.619694D-01 -0.710956D+00 -0.196686D+01
      3  -0.272152D+00 -0.110525D+01  0.353647D-01 -0.196686D+01 -0.501364D+00
                91            92            93            94            95 
      1  -0.184053D+01 -0.263601D+00 -0.108537D+01 -0.468865D+00  0.172927D+00
      2  -0.263601D+00 -0.286968D+00 -0.102924D+00  0.172927D+00 -0.505791D+00
      3  -0.108537D+01 -0.102924D+00 -0.162032D+01 -0.301182D+00 -0.116412D+01
                96            97            98            99           100 
      1  -0.301182D+00 -0.150127D+01 -0.315677D+00 -0.104237D+01  0.194157D+01
      2  -0.116412D+01 -0.315677D+00 -0.176844D+01 -0.550616D+00 -0.516240D+00
      3  -0.101710D+01 -0.104237D+01 -0.550616D+00 -0.717868D+01  0.110099D+01
               101           102           103           104           105 
      1  -0.516240D+00  0.110099D+01 -0.654596D+00 -0.105779D+00 -0.281254D+00
      2   0.126340D+00 -0.159818D+00 -0.105779D+00 -0.561518D+00  0.118595D+01
      3  -0.159818D+00  0.157454D+01 -0.281254D+00  0.118595D+01 -0.110587D+01
               106           107           108           109           110 
      1   0.155841D+01 -0.232190D+00  0.128522D+01  0.876107D+01 -0.415651D+00
      2  -0.232190D+00  0.162111D+01 -0.755925D+00 -0.415651D+00  0.138929D+01
      3   0.128522D+01 -0.755925D+00  0.707601D+01  0.468680D+00  0.182816D+00
               111           112           113           114           115 
      1   0.468680D+00 -0.515044D+00  0.329081D+00 -0.403453D-01  0.121127D+01
      2   0.182816D+00  0.329081D+00 -0.172271D+01  0.509476D-01 -0.799449D-01
      3   0.383155D+00 -0.403453D-01  0.509476D-01 -0.537209D+00  0.198020D-02
               116           117           118           119           120 
      1  -0.799449D-01  0.198020D-02  0.142712D+01  0.127821D+01 -0.144395D+00
      2   0.294799D+00 -0.535446D+00  0.127821D+01  0.591659D+00  0.127593D+00
      3  -0.535446D+00  0.821781D-01 -0.144395D+00  0.127593D+00  0.578667D+00
               121           122           123           124           125 
      1   0.378500D+01  0.999157D+00  0.459663D+00 -0.436934D+00  0.118102D+00
      2   0.999157D+00  0.440940D+01 -0.340994D+00  0.118102D+00 -0.409331D+00
      3   0.459663D+00 -0.340994D+00  0.825066D+00  0.570560D+00  0.441195D+00
               126           127           128           129           130 
      1   0.570560D+00 -0.239565D+01  0.550887D+00  0.592847D+00  0.212787D+01
      2   0.441195D+00  0.550887D+00 -0.227510D+01  0.698161D-01 -0.687565D+00
      3   0.913495D-01  0.592847D+00  0.698161D-01 -0.568996D+00 -0.231748D+00
               131           132           133           134           135 
      1  -0.687565D+00 -0.231748D+00  0.754158D+00 -0.699024D-01 -0.596570D-01
      2   0.494948D+01 -0.408547D-03 -0.699024D-01  0.557461D+00  0.744513D+00
      3  -0.408547D-03  0.116739D+01 -0.596570D-01  0.744513D+00 -0.536018D-02
               136           137           138           139           140 
      1  -0.458771D+01  0.765852D+00 -0.418810D+00  0.835830D+00 -0.991316D+00
      2   0.765852D+00 -0.346996D+01 -0.268808D+00 -0.991316D+00  0.112836D+00
      3  -0.418810D+00 -0.268808D+00 -0.135646D+01  0.405488D-01 -0.332107D+00
               141           142           143           144 
      1   0.405488D-01 -0.141618D+01  0.628325D-01 -0.545996D+00
      2  -0.332107D+00  0.628325D-01 -0.125359D+01  0.379335D+00
      3   0.274498D+00 -0.545996D+00  0.379335D+00 -0.404466D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.310741D+00 -0.190547D+01  0.131887D+01 -0.353369D+01  0.269517D+01
      2   0.332991D+01 -0.296809D+01 -0.439601D+01 -0.443043D+01  0.530087D+00
      3  -0.448271D+00 -0.388461D+01  0.204640D+01 -0.679912D+01 -0.542743D+01
                 6             7             8             9            10 
      1   0.742258D+01 -0.354872D+00  0.950439D+01 -0.272881D+01  0.191573D+00
      2   0.724908D-01 -0.133579D+02  0.224652D+01 -0.451236D+01 -0.173876D+00
      3   0.175436D+01  0.448980D+01  0.258103D+01 -0.139906D+01  0.701635D+01
                11            12            13            14            15 
      1   0.212330D+00 -0.486086D+00  0.592817D-01  0.189567D+00 -0.100993D+02
      2   0.622021D+00  0.298862D+01  0.897852D+00  0.863813D+00 -0.183215D+01
      3  -0.975674D+00 -0.920343D+00  0.180397D+02  0.173886D+02 -0.998989D+00
                16            17            18            19            20 
      1   0.146221D+01 -0.435803D+00  0.220364D+01  0.612962D+00  0.706457D+00
      2  -0.262652D+01 -0.527497D+01  0.208559D+01  0.853174D+00  0.572736D+00
      3  -0.280941D+01 -0.114175D+01  0.505314D+01 -0.258413D+01 -0.921527D+01
                21            22            23            24            25 
      1  -0.591679D+00  0.749193D+00 -0.153949D+01 -0.215330D+01  0.163387D+01
      2   0.883077D+01  0.765899D+00  0.190800D+01 -0.142210D+01  0.490984D+01
      3  -0.490192D+00 -0.777654D+00  0.128891D+02 -0.260545D+01 -0.100498D+01
                26            27            28            29            30 
      1   0.168829D+01  0.406605D+00  0.524649D-01  0.124170D+01  0.189764D+01
      2  -0.145190D+01  0.358997D+01 -0.275924D+01  0.997360D+00  0.345804D+01
      3  -0.400212D+01 -0.171389D+01  0.205042D+00 -0.337960D+01 -0.532250D-01
                31            32            33            34            35 
      1   0.321769D+01  0.139163D+00 -0.208844D+01 -0.160714D+01  0.252406D+01
      2   0.251396D+01 -0.449140D+00 -0.176850D+01 -0.299401D+01  0.880038D+00
      3   0.476823D+01  0.176641D+01 -0.105574D+01 -0.134903D+01 -0.348220D+00
                36            37            38            39            40 
      1  -0.159351D+01 -0.134314D+00  0.203625D+01 -0.156880D+01  0.107459D+01
      2   0.345319D+01 -0.148083D+01 -0.930006D+00  0.287772D+01 -0.243047D+01
      3  -0.156139D+00  0.125744D+01 -0.175936D+01 -0.896490D-01  0.613272D+01
                41            42            43            44            45 
      1   0.186384D-01 -0.181894D+01  0.953332D+00  0.206613D+01  0.208338D+01
      2  -0.796298D+00  0.117769D+01 -0.360000D+01 -0.192232D+01  0.331186D+01
      3   0.702921D+00  0.556741D+00  0.207148D+01 -0.814839D+00  0.600628D+00
                46            47            48            49            50 
      1  -0.146308D+00 -0.495510D+01 -0.162505D+01 -0.378620D+01 -0.279959D+01
      2   0.372257D+01  0.281993D+01 -0.770617D+01  0.394100D+01  0.170625D+01
      3  -0.503723D+01  0.721463D+01 -0.117663D+01  0.371596D+01 -0.465036D+01
                51            52            53            54            55 
      1   0.534500D+01  0.186347D+01  0.123772D+02  0.240212D+01 -0.913790D+00
      2   0.245559D+01 -0.129665D+02 -0.202763D+01 -0.536700D+01  0.571556D+00
      3   0.180502D+01 -0.220392D+01  0.525702D+01 -0.789008D+00  0.954461D+01
                56            57            58            59            60 
      1   0.228689D+01  0.666431D+00  0.102002D+01 -0.529665D+00 -0.337873D+01
      2  -0.624817D+00  0.129370D+02 -0.114951D+01 -0.664343D-01 -0.226402D+01
      3  -0.196699D+02  0.591451D+00 -0.305135D+01  0.103942D+02 -0.750137D+00
                61            62            63            64            65 
      1  -0.255836D+01  0.158333D+01 -0.947817D+00  0.179638D+01 -0.204380D+01
      2   0.480178D+01  0.662602D+00  0.509457D+01  0.171405D+01 -0.102401D-01
      3   0.104751D+01 -0.421814D+01  0.335905D+01  0.130055D+02 -0.961918D+01
                66            67            68            69            70 
      1  -0.328148D+01 -0.252523D+01 -0.685311D+00 -0.341401D+01 -0.137451D+01
      2   0.384514D+01 -0.160250D+00 -0.196950D+00  0.189130D+01 -0.202419D+01
      3  -0.169375D+01 -0.319648D+01  0.153579D+01  0.187051D+01 -0.311789D+01
                71            72            73            74            75 
      1   0.307293D+01  0.894357D+00 -0.122058D+01 -0.670154D+00 -0.796074D+00
      2   0.118528D+01 -0.101609D+01 -0.184086D+01 -0.160510D+01  0.123246D+01
      3   0.156881D+01  0.131556D+00  0.121708D+02  0.656335D+01  0.258239D+01
                76            77            78            79            80 
      1  -0.659607D-02  0.269557D+01 -0.580293D+01 -0.135903D+00  0.142797D+01
      2  -0.401895D+00 -0.759426D+00 -0.223196D+01 -0.331545D+01 -0.302207D+00
      3   0.824105D+01  0.723518D+01  0.200880D+00  0.426029D+01  0.344101D+01
                81            82            83            84            85 
      1  -0.157545D+01 -0.140686D+01  0.108575D+01 -0.798139D+00  0.169896D+00
      2  -0.174994D+01  0.504808D-01 -0.136891D+00  0.356860D+01 -0.103991D+01
      3   0.178883D+01  0.217272D+02 -0.558462D+01  0.160738D+01  0.466774D+01
                86            87            88            89            90 
      1  -0.106876D+00 -0.738526D+01 -0.198470D+01 -0.223043D+01 -0.177711D+01
      2   0.187449D+00  0.273214D+00 -0.116163D+01  0.401931D+01  0.134336D+01
      3  -0.809234D+01 -0.806648D+00  0.440091D+01 -0.191242D+01 -0.324767D+01
                91            92            93            94            95 
      1   0.882760D+00  0.933995D+00  0.618403D+00  0.744170D+00  0.802854D+00
      2  -0.228264D+01 -0.504103D+00 -0.524113D+00 -0.121933D+01 -0.118080D+01
      3  -0.552316D+00 -0.334779D+00 -0.265147D+00  0.953591D+00  0.243539D+00
                96            97            98            99           100 
      1   0.554175D+00  0.583727D+00  0.338406D+01  0.210732D+01 -0.949470D+00
      2  -0.572033D+00 -0.351693D+01 -0.283681D+00 -0.420967D+01 -0.213909D+01
      3   0.731351D+00 -0.260120D+00  0.506918D+00 -0.248151D+00  0.178801D+00
               101           102           103           104           105 
      1   0.815954D+00 -0.718414D+00  0.666817D+00 -0.134218D+01  0.518026D+00
      2   0.489058D+00 -0.448702D+00  0.123129D+01 -0.857233D+00  0.581149D+00
      3  -0.768739D+00  0.292516D+00  0.847175D+00 -0.679330D+00  0.726768D+00
               106           107           108           109           110 
      1  -0.798122D+00  0.312410D+01 -0.254230D+01  0.133787D+01 -0.361603D+00
      2  -0.384455D+01  0.722128D+00 -0.407468D+01  0.239461D+00 -0.199966D+00
      3  -0.129493D+00  0.351735D+00 -0.190618D+00 -0.276580D+02  0.687260D+01
               111           112           113           114           115 
      1   0.114699D+01 -0.484608D+00  0.841054D-01 -0.581955D+00  0.425706D+00
      2  -0.276877D+01  0.278158D-01 -0.121705D+00  0.323739D+00 -0.291814D+01
      3  -0.133478D+01  0.429763D+01 -0.209879D+01  0.196130D+00 -0.375233D+01
               116           117           118           119           120 
      1   0.455636D+00  0.296775D+00  0.400580D+00 -0.491610D+00 -0.790612D+00
      2   0.410855D+00 -0.247130D+00 -0.291014D+00  0.317180D-01  0.642999D+00
      3   0.108351D+01 -0.265616D+00 -0.443888D+01 -0.328634D+00 -0.624049D+00
               121           122           123           124           125 
      1  -0.522980D-01  0.202500D+01 -0.396683D+00  0.172187D+00  0.104980D+01
      2   0.747329D+00 -0.162657D+01  0.331161D+01  0.111756D+00  0.192125D+01
      3  -0.751536D+00 -0.193376D+02  0.204125D+01 -0.147644D+00  0.253517D+01
               126           127           128           129           130 
      1  -0.257139D+00 -0.300116D+01  0.144962D+01  0.198463D+01  0.124412D+01
      2  -0.412218D+00 -0.106036D+01  0.291820D+00 -0.769080D+00  0.576765D+00
      3  -0.119306D+01 -0.115791D+02  0.504600D+01  0.268547D+01  0.861057D+01
               131           132           133           134           135 
      1  -0.221306D+01 -0.294888D+01  0.399865D+00 -0.117031D+01 -0.617072D+00
      2  -0.281551D+00  0.762652D+00 -0.117959D+01  0.446881D+00  0.761044D+00
      3  -0.837378D+01 -0.107623D+01  0.357337D+01 -0.153991D+01 -0.104490D+01
               136           137           138           139           140 
      1   0.218714D+01 -0.341212D+00  0.302338D+01  0.217779D+00  0.812539D+00
      2   0.277178D+01  0.908145D+00  0.281967D+01  0.129896D+00  0.114050D+01
      3  -0.128162D+02 -0.905996D+01 -0.291152D+01 -0.249174D+01 -0.348782D+01
               141           142           143           144 
      1  -0.359435D+00  0.132773D+01  0.462430D+00  0.139869D+01
      2  -0.758669D+00  0.475613D+00 -0.124043D+01  0.724629D+00
      3  -0.136493D+01 -0.506854D+01 -0.334780D+01 -0.685094D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.185625D+02  0.224054D+01 -0.402213D+00 -0.617509D+00  0.232011D+02
      2   0.107724D+02 -0.486197D+01  0.220766D+01  0.770643D+00 -0.294423D+02
      3   0.779004D+01  0.262143D+01 -0.180544D+01 -0.153134D+00  0.624119D+01
      4  -0.561333D+01  0.101781D+01 -0.930614D+00 -0.487872D+01  0.858970D+01
      5  -0.212767D+01 -0.189083D+01 -0.753204D+01  0.552019D+00  0.567978D+00
      6   0.485858D+00 -0.192758D+00 -0.448961D+01  0.752648D-02  0.172115D+01
                 6             7             8             9            10 
      1  -0.279178D+01 -0.754394D+01 -0.536353D+01 -0.293910D+01 -0.281100D+01
      2  -0.404778D-01  0.548809D+01  0.418623D+01 -0.611448D+01  0.638986D+01
      3   0.283226D+01  0.205585D+01  0.117731D+01  0.905358D+01 -0.357886D+01
      4  -0.958449D+00  0.619807D+00 -0.157653D+01 -0.889140D+00 -0.414363D+01
      5  -0.238963D+01  0.310144D+01  0.109162D+01 -0.478377D+01 -0.210581D-01
      6  -0.856906D+01 -0.660482D+00  0.208433D+01  0.347638D+01 -0.100106D+01
                11            12            13            14            15 
      1  -0.909717D+01  0.732476D+00 -0.137399D+02 -0.357515D+02  0.124579D+01
      2   0.719378D+01 -0.760897D+00  0.807951D+01  0.528038D+02 -0.805947D+00
      3   0.190339D+01  0.284214D-01  0.566044D+01 -0.170523D+02 -0.439845D+00
      4   0.152090D+02 -0.775225D+00  0.148861D+02 -0.278721D+02  0.131797D+01
      5  -0.294875D+00  0.491035D+01 -0.167641D+01 -0.237958D+00 -0.377621D+01
      6  -0.376777D+00  0.129615D+01 -0.819557D+00 -0.270577D+01  0.150953D+02
                16            17            18            19            20 
      1   0.257200D+01  0.380126D+01 -0.970231D+01  0.643069D+02  0.100493D+01
      2  -0.222261D+01 -0.257841D+01  0.702258D+01 -0.386203D+02 -0.266879D+00
      3  -0.349390D+00 -0.122285D+01  0.267973D+01 -0.256866D+02 -0.738046D+00
      4  -0.118846D+01  0.147230D+01 -0.769877D+01  0.555667D+00  0.101528D+02
      5   0.382067D+01 -0.848529D+01  0.240675D+01  0.441236D+01  0.129728D+01
      6   0.405658D+00  0.139337D+02 -0.412338D+01  0.829800D+00  0.384091D+00
                21            22            23            24            25 
      1   0.247008D+01 -0.776717D+01  0.484584D+01 -0.583277D+00  0.681904D+01
      2  -0.254254D+01  0.365724D+01 -0.929694D+00  0.828275D+00 -0.633518D+01
      3   0.724601D-01  0.410992D+01 -0.391615D+01 -0.244998D+00 -0.483862D+00
      4   0.104899D+01  0.128398D+02 -0.143535D+02  0.327333D+01  0.164396D+01
      5   0.172252D+02 -0.459643D+00  0.336158D+01 -0.705446D+00  0.193740D+02
      6   0.133337D+01  0.299391D+00  0.796099D-01  0.420488D+01 -0.127647D+01
                26            27            28            29            30 
      1   0.127650D+01  0.102201D+02  0.376734D-02  0.549940D+01  0.138864D+01
      2  -0.113993D+00 -0.113685D+02  0.159911D+01 -0.520085D+01  0.367207D+01
      3  -0.116251D+01  0.114836D+01 -0.160288D+01 -0.298549D+00 -0.506072D+01
      4   0.339527D+01 -0.469741D+00 -0.182372D+01 -0.265747D+01 -0.289964D-02
      5   0.149023D+01  0.741509D+01 -0.116471D+01  0.178351D+01  0.578800D+00
      6   0.365398D+01 -0.232536D+00 -0.131695D+01  0.150328D+01 -0.326800D+01
                31            32            33            34            35 
      1   0.722379D+00 -0.109381D+01  0.395802D+01  0.229544D+01  0.247597D+01
      2   0.882306D+00 -0.177520D+01  0.303391D+01  0.327044D+01 -0.752877D+00
      3  -0.160468D+01  0.286901D+01 -0.699192D+01 -0.556588D+01 -0.172309D+01
      4  -0.807703D+01 -0.729087D+01  0.208083D+01 -0.169821D+01  0.287368D+01
      5   0.111041D+01  0.137073D+01 -0.345305D+01  0.166947D+01  0.194345D+01
      6   0.164783D+01  0.151379D+01 -0.410155D+01  0.318680D+01  0.110722D+01
                36            37            38            39            40 
      1   0.772661D+01  0.133283D+01 -0.648733D+01  0.216351D+01 -0.673672D-01
      2   0.732391D+01 -0.115773D+01  0.444518D+01  0.193978D+01 -0.222379D+01
      3  -0.150505D+02 -0.175103D+00  0.204215D+01 -0.410329D+01  0.229116D+01
      4   0.498854D+01  0.777038D-01 -0.295656D+01 -0.344275D+00 -0.732105D+01
      5   0.679165D+00 -0.146736D+00 -0.141840D+01 -0.981124D-01 -0.111541D+01
      6  -0.104057D+01  0.117100D+01  0.694583D+00  0.382761D+01  0.309615D+01
                41            42            43            44            45 
      1  -0.752757D+00 -0.378816D+01  0.434285D+01 -0.264457D+01  0.795871D+01
      2  -0.231760D+01 -0.301754D+01  0.253744D+01 -0.113603D+01  0.618171D+01
      3   0.307036D+01  0.680570D+01 -0.688029D+01  0.378060D+01 -0.141404D+02
      4   0.219898D+01  0.244691D+01  0.248387D+00  0.179678D+01 -0.576964D+01
      5   0.423945D+00  0.356780D+01  0.941753D+00 -0.229679D+01  0.899499D+00
      6  -0.187665D+01 -0.407813D+01 -0.311770D+01  0.149240D+01  0.860478D+00
                46            47            48            49            50 
      1  -0.439953D+02  0.470266D+01 -0.259539D+01  0.188568D+02  0.129454D+02
      2   0.288578D+02  0.259580D-01  0.506708D+01 -0.124189D+02 -0.162865D+02
      3   0.151375D+02 -0.472862D+01 -0.247170D+01 -0.643792D+01  0.334108D+01
      4   0.831197D+01 -0.107792D+02  0.275997D+00  0.216213D+01  0.324135D+01
      5  -0.572269D+01  0.142637D+01 -0.119259D+02  0.289987D+01  0.953377D+00
      6   0.148614D+00 -0.705031D+00  0.430654D+01  0.147147D+01 -0.126343D+00
                51            52            53            54            55 
      1   0.384189D+01 -0.990067D+01  0.505092D+01 -0.720987D+01  0.945665D+02
      2  -0.101931D+01  0.748740D+01 -0.259925D+01 -0.219025D+01 -0.570046D+02
      3  -0.282258D+01  0.241328D+01 -0.245168D+01  0.940012D+01 -0.375619D+02
      4   0.982141D+00  0.189390D+01 -0.346355D+01  0.253061D+01 -0.564624D+01
      5   0.597282D+01  0.105725D+01  0.111400D+01 -0.689590D+01  0.907434D+01
      6  -0.769347D+01  0.420169D-01  0.263634D+01 -0.230846D+01 -0.989448D+00
                56            57            58            59            60 
      1  -0.108511D+02  0.542332D+01 -0.118793D+02  0.911173D+01 -0.155699D+01
      2   0.767188D+01 -0.533901D+01  0.862518D+01 -0.195269D+01  0.131775D+01
      3   0.317923D+01 -0.843084D-01  0.325412D+01 -0.715903D+01  0.239238D+00
      4   0.233740D+02 -0.446564D+00  0.190720D+02 -0.877034D+01  0.235472D+01
      5  -0.139997D+01  0.225999D+02 -0.204554D+01  0.233279D+01 -0.530707D+01
      6   0.141685D+01 -0.144152D+01  0.120263D+01 -0.142966D+00  0.554890D+01
                61            62            63            64            65 
      1   0.904135D+01 -0.271808D+01  0.150775D+02  0.141558D+02 -0.910394D+01
      2  -0.873744D+01  0.184650D+01 -0.146389D+02 -0.646296D+01  0.161804D+02
      3  -0.303911D+00  0.871584D+00 -0.438642D+00 -0.769282D+01 -0.707648D+01
      4  -0.263800D+01  0.459509D+01 -0.169652D+01  0.161099D+02  0.145075D+02
      5   0.253681D+02 -0.337605D+01  0.114850D+02 -0.253559D+01 -0.154455D+01
      6   0.155914D+01  0.424953D+01  0.310495D+00 -0.315317D+01 -0.352336D+01
                66            67            68            69            70 
      1   0.614606D+00 -0.520644D+01 -0.258995D+01  0.130603D+01 -0.574800D+00
      2  -0.923838D+00  0.858509D+01  0.931555D+01 -0.338736D+01  0.143393D+01
      3   0.309232D+00 -0.337865D+01 -0.672560D+01  0.208133D+01 -0.859128D+00
      4  -0.302835D+01  0.138013D+02  0.184441D+02 -0.212310D+01 -0.166480D+01
      5   0.755293D+01 -0.963735D+00 -0.409532D+01  0.369596D+01  0.553558D+01
      6   0.533818D+01 -0.179505D+01 -0.511818D+01  0.942702D+01  0.349071D+01
                71            72            73            74            75 
      1   0.441722D+01 -0.434178D+01 -0.365411D+01 -0.283361D+01 -0.255498D+01
      2  -0.318400D+01 -0.737712D+00  0.355312D+01  0.199711D+01  0.780795D-01
      3  -0.123322D+01  0.507949D+01  0.100988D+00  0.836498D+00  0.247690D+01
      4  -0.271228D+01  0.465612D+01  0.329760D+01  0.519513D+00  0.204481D+01
      5   0.304181D+01 -0.319569D+01 -0.226238D+01  0.112993D+00  0.471050D+01
      6   0.782337D+01 -0.374831D+01  0.319727D+01 -0.105363D+01  0.162601D+00
                76            77            78            79            80 
      1  -0.192251D+01 -0.180953D+02 -0.203925D+01 -0.208499D+01 -0.516705D+01
      2  -0.639241D+00  0.283789D+02  0.287243D+01  0.135178D+01  0.411819D+01
      3   0.256175D+01 -0.102837D+02 -0.833177D+00  0.733212D+00  0.104886D+01
      4   0.127498D+02 -0.183557D+02 -0.430503D+01  0.444053D+01 -0.568421D+01
      5   0.190067D+01 -0.369740D+01 -0.538117D+01  0.456033D+01 -0.336030D+01
      6  -0.332761D+01  0.742924D+01  0.120693D+02 -0.171137D+01  0.902163D+01
                81            82            83            84            85 
      1  -0.682438D+01  0.991110D+01  0.379106D+01  0.134388D+01 -0.287615D+01
      2   0.143935D+01 -0.250533D+01 -0.109324D+01 -0.130253D+01  0.313597D+01
      3   0.538503D+01 -0.740577D+01 -0.269783D+01 -0.413518D-01 -0.259821D+00
      4  -0.346716D+01  0.197190D+02  0.198986D+02  0.142255D+01  0.838482D+01
      5  -0.403577D+01  0.103736D+01  0.260793D+00  0.677996D+01 -0.790459D+00
      6   0.532829D+01  0.299822D+01 -0.232973D+00  0.447991D+00 -0.178412D+01
                86            87            88            89            90 
      1  -0.235876D+02 -0.182024D+01  0.143820D+01 -0.265727D+01 -0.772978D+01
      2   0.369429D+02  0.101314D+01 -0.136897D+01  0.165040D+01  0.462850D+01
      3  -0.133553D+02  0.807098D+00 -0.692306D-01  0.100687D+01  0.310128D+01
      4   0.191716D+02 -0.406413D+00  0.234438D+01  0.182260D+01  0.672104D+01
      5  -0.769452D+00  0.153367D+01  0.416483D+01  0.665896D+01  0.143969D+01
      6   0.945619D+00  0.132340D+02 -0.626238D-01  0.121805D+02  0.272946D+01
                91            92            93            94            95 
      1  -0.153118D+01 -0.946460D+00 -0.312459D+01 -0.151861D+01 -0.245980D+01
      2  -0.348038D+01 -0.314499D+00 -0.214575D+01 -0.485394D+00 -0.963073D+00
      3   0.501156D+01  0.126096D+01  0.527034D+01  0.200401D+01  0.342287D+01
      4  -0.114589D+01  0.120621D+01 -0.736381D+00  0.233777D+01 -0.428382D+00
      5   0.168606D+01  0.153664D+00  0.470680D+01  0.440461D+00 -0.309043D+00
      6   0.264907D+00  0.768193D+00 -0.245062D+00  0.700407D+00  0.128097D+01
                96            97            98            99           100 
      1  -0.210819D+01 -0.324126D+01 -0.426811D+00 -0.171787D+02 -0.212022D+01
      2  -0.272951D+01 -0.255442D+01 -0.251459D+01 -0.146104D+02 -0.282440D+01
      3   0.483770D+01  0.579569D+01  0.294140D+01  0.317892D+02  0.494462D+01
      4  -0.954686D+00 -0.518649D+00 -0.246665D+01 -0.119887D+01  0.143800D+01
      5  -0.854462D-01  0.436764D+01 -0.303097D+00 -0.230546D+01  0.168033D+01
      6   0.534749D+01 -0.301631D+00  0.449798D+01 -0.793459D+00 -0.259211D+00
               101           102           103           104           105 
      1   0.129173D+01 -0.323403D+01  0.182636D+01 -0.234441D+01  0.230186D+01
      2   0.158447D+00 -0.186328D+01  0.344185D+00 -0.123593D+01  0.273639D+01
      3  -0.145018D+01  0.509731D+01 -0.217055D+01  0.358034D+01 -0.503825D+01
      4   0.174474D+01  0.737395D+00  0.219163D+01  0.904767D+00 -0.117123D+01
      5  -0.296760D+00  0.480143D+01 -0.638488D+00 -0.179519D+00  0.268115D+00
      6   0.859034D+00  0.114185D+00  0.788051D+00 -0.151018D+01  0.524849D+01
               106           107           108           109           110 
      1  -0.464726D+01  0.992003D+00 -0.177046D+02 -0.114889D+02  0.399485D+01
      2  -0.230259D+01  0.288931D+01 -0.134654D+02  0.581584D+01 -0.483884D+01
      3   0.694985D+01 -0.388131D+01  0.311699D+02  0.567302D+01  0.843994D+00
      4   0.844597D+00 -0.222668D+01  0.193173D+01 -0.159517D+02 -0.115700D+02
      5   0.426070D+01  0.242054D+00 -0.209168D+01 -0.100427D+01  0.107153D+00
      6   0.686842D+00  0.447649D+01  0.812243D+00 -0.245213D+01 -0.608513D+00
               111           112           113           114           115 
      1   0.829608D-01  0.200345D+01 -0.592483D+01  0.899558D-01 -0.118542D+01
      2  -0.459170D-01 -0.185671D+01  0.801813D+01 -0.180913D+00  0.603167D+00
      3  -0.370437D-01 -0.146737D+00 -0.209329D+01  0.909574D-01  0.582256D+00
      4  -0.947950D+00  0.820735D+00  0.164003D+01  0.964342D-01 -0.208119D+01
      5  -0.502612D+01  0.131701D+00 -0.338903D+00  0.548789D+00  0.247469D+00
      6  -0.146103D+01  0.709888D-01 -0.119170D+00  0.173737D+01 -0.269831D+00
               116           117           118           119           120 
      1   0.491175D+00 -0.237759D+01  0.631539D+01  0.634801D+01 -0.653946D+00
      2  -0.755641D+00  0.888561D+00 -0.221751D+01 -0.259493D+01  0.858917D+00
      3   0.264466D+00  0.148903D+01 -0.409787D+01 -0.375308D+01 -0.204970D+00
      4  -0.140854D+01  0.327010D+00  0.712047D+01  0.507473D+01  0.101669D-01
      5   0.720582D+00 -0.393531D+00 -0.913572D+00  0.213341D+00  0.185518D+01
      6   0.267859D+01 -0.381876D+00 -0.270637D+00  0.296458D+00  0.114122D+01
               121           122           123           124           125 
      1   0.196561D+02  0.336800D+01  0.166089D+01 -0.282732D+01 -0.151732D-01
      2  -0.109123D+02 -0.488095D+00 -0.172123D+01  0.168334D+01 -0.168306D-01
      3  -0.874383D+01 -0.287990D+01  0.603317D-01  0.114398D+01  0.320038D-01
      4   0.742722D+01  0.218322D+02 -0.980503D+00  0.346300D+00 -0.159229D+01
      5   0.208199D+01 -0.138182D+01  0.512328D+01  0.360964D+01  0.281745D+01
      6   0.119221D+01  0.874121D+00  0.365843D+00  0.549186D+00  0.164756D+01
               126           127           128           129           130 
      1   0.111956D+01 -0.480779D+01  0.785078D+01 -0.998778D+00  0.591962D+01
      2  -0.124093D+01  0.417088D+01 -0.108683D+02 -0.391514D+00 -0.558341D+01
      3   0.121369D+00  0.636906D+00  0.301747D+01  0.139029D+01 -0.336207D+00
      4   0.290857D+01 -0.594918D+01 -0.913785D+00  0.149766D+01  0.437518D+01
      5  -0.273695D+00  0.108032D+01 -0.669094D+00 -0.148211D+01 -0.982746D+00
      6   0.476050D+00  0.160631D+01  0.222003D+01 -0.210504D+01 -0.425723D+00
               131           132           133           134           135 
      1  -0.164270D+02  0.157155D+00  0.214573D+01 -0.189412D+01 -0.256822D+01
      2   0.246942D+02  0.796139D+00 -0.135119D+01  0.296918D+01  0.255127D+01
      3  -0.826724D+01 -0.953295D+00 -0.794538D+00 -0.107506D+01  0.169407D-01
      4   0.375100D+01 -0.522168D+00  0.129737D+01  0.155227D+01  0.594427D-01
      5   0.730028D+00  0.185193D+01  0.960350D+00  0.661562D+00  0.126583D+01
      6  -0.167000D+01  0.458678D+01 -0.456131D+00  0.409432D+01  0.204986D+00
               136           137           138           139           140 
      1   0.135967D+02  0.261803D+01  0.261060D+01 -0.340092D+01  0.370993D+01
      2  -0.449476D+01 -0.764451D+01 -0.141387D+00  0.619719D-01 -0.107268D+01
      3  -0.910190D+01  0.502648D+01 -0.246921D+01  0.333894D+01 -0.263725D+01
      4  -0.163397D+02  0.139394D+02 -0.318071D+00  0.564166D+01 -0.268616D+01
      5  -0.622490D+00  0.166660D+01  0.351909D+01 -0.444685D+00  0.126900D+01
      6  -0.125937D+01 -0.144947D+01 -0.495759D+01  0.125022D+00 -0.106804D+01
               141           142           143           144 
      1   0.454817D+00  0.171800D+01  0.271007D+01  0.102320D+01
      2  -0.352781D+00 -0.616269D+00 -0.367967D+01 -0.111998D+01
      3  -0.102036D+00 -0.110173D+01  0.969604D+00  0.967855D-01
      4   0.131884D+01 -0.388993D+01  0.362275D+01 -0.293324D+01
      5  -0.146435D+01  0.337414D+01 -0.194340D+01  0.834070D+00
      6   0.752703D+00 -0.204733D+01  0.218939D+01 -0.206256D+01
 Leave Link  716 at Wed Jul 28 19:59:02 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.864134D+02  0.167828D-01  0.244961D+01
      2   0.167828D-01  0.777673D+02 -0.492776D+00
      3   0.244961D+01 -0.492776D+00  0.531759D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.400488D+01 -0.812402D+00 -0.525248D+01
      2  -0.156559D+01 -0.476349D+01 -0.295734D+01
      3  -0.141240D+02 -0.104772D+01  0.122734D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.107656D+02  0.222729D+02 -0.454805D+01
      2   0.460614D+01 -0.132799D+02  0.374875D+01
      3   0.615947D+01 -0.899297D+01  0.799298D+00
      4   0.180591D+02 -0.275221D+01 -0.113019D+02
      5  -0.413352D+01 -0.873755D+01 -0.286716D+01
      6  -0.751282D+01  0.816237D+00  0.913312D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.198854D+01 -0.655809D+00 -0.749399D-01  0.270592D+01  0.117057D+01
      2  -0.655809D+00  0.202168D+01 -0.244997D+00  0.117057D+01  0.500108D+01
      3  -0.749399D-01 -0.244997D+00  0.347837D+00 -0.204552D+00 -0.333417D+00
                 6             7             8             9            10 
      1  -0.204552D+00 -0.174402D+01  0.233240D+00  0.258706D+00 -0.244133D+01
      2  -0.333417D+00  0.233240D+00 -0.710403D+00 -0.586419D-01 -0.212821D+01
      3  -0.576015D-01  0.258706D+00 -0.586419D-01 -0.815279D+00  0.221041D+00
                11            12            13            14            15 
      1  -0.212821D+01  0.221041D+00 -0.571415D+01 -0.263248D+00 -0.654656D-01
      2  -0.811880D+00  0.929236D-01 -0.263248D+00 -0.115702D+02  0.625930D+00
      3   0.929236D-01 -0.454445D+00 -0.654656D-01  0.625930D+00 -0.192005D+01
                16            17            18            19            20 
      1   0.949162D+00  0.672065D-01 -0.259382D+00  0.886248D+01  0.271465D+00
      2   0.672065D-01  0.823702D+00 -0.264462D+01  0.271465D+00  0.690452D+00
      3  -0.259382D+00 -0.264462D+01  0.919543D+00  0.511832D+00  0.103534D+00
                21            22            23            24            25 
      1   0.511832D+00 -0.199277D+01  0.129964D+01 -0.173518D+00  0.169793D+01
      2   0.103534D+00  0.129964D+01 -0.310670D+01  0.662633D+00 -0.977255D-01
      3   0.125892D+01 -0.173518D+00  0.662633D+00 -0.144687D+00  0.234901D+01
                26            27            28            29            30 
      1  -0.977255D-01  0.234901D+01  0.516939D+01 -0.959353D+00 -0.725141D+00
      2   0.785913D+00  0.423925D+00 -0.959353D+00 -0.703578D+00  0.425074D+00
      3   0.423925D+00  0.986952D+00 -0.725141D+00  0.425074D+00  0.212219D+01
                31            32            33            34            35 
      1  -0.669301D+00 -0.184345D+01  0.855434D+00 -0.243369D+01  0.595389D+00
      2  -0.184345D+01 -0.113709D+01  0.287734D+00  0.595389D+00  0.251744D+00
      3   0.855434D+00  0.287734D+00  0.152027D+01  0.275418D+01  0.469160D+00
                36            37            38            39            40 
      1   0.275418D+01 -0.505683D+01  0.151441D+01  0.674562D+00 -0.159282D+00
      2   0.469160D+00  0.151441D+01  0.116427D+01  0.583558D+00  0.191713D+01
      3   0.452367D+01  0.674562D+00  0.583558D+00 -0.193234D+01  0.107534D+01
                41            42            43            44            45 
      1   0.191713D+01  0.107534D+01  0.257648D+01  0.100550D+00 -0.269297D+01
      2  -0.174849D+00 -0.121093D+00  0.100550D+00  0.171848D+00  0.121524D+01
      3  -0.121093D+00  0.162751D+01 -0.269297D+01  0.121524D+01 -0.435865D+01
                46            47            48            49            50 
      1   0.677401D+01 -0.245821D+01  0.798547D+00 -0.415272D+01 -0.979675D+00
      2  -0.245821D+01  0.104257D+01 -0.114022D+00 -0.979675D+00  0.157517D+00
      3   0.798547D+00 -0.114022D+00  0.529644D+00 -0.805554D+00 -0.139286D+00
                51            52            53            54            55 
      1  -0.805554D+00  0.148478D+01 -0.326368D+00  0.351919D+00 -0.145851D+02
      2  -0.139286D+00 -0.326368D+00  0.583278D+00 -0.724552D+00  0.203942D+01
      3  -0.106198D+01  0.351919D+00 -0.724552D+00  0.845142D+00 -0.121998D+01
                56            57            58            59            60 
      1   0.203942D+01 -0.121998D+01  0.247287D+01 -0.241964D+01  0.325824D+00
      2  -0.372960D+01  0.681539D-01 -0.241964D+01  0.243019D+01 -0.312605D+00
      3   0.681539D-01 -0.213666D+01  0.325824D+00 -0.312605D+00  0.100466D+01
                61            62            63            64            65 
      1  -0.202431D+01  0.302675D+00 -0.339904D+01  0.511835D+01  0.114999D+01
      2   0.302675D+00 -0.897636D+00  0.759007D+00  0.114999D+01  0.400364D+01
      3  -0.339904D+01  0.759007D+00 -0.167060D+01 -0.641820D+00 -0.511642D+00
                66            67            68            69            70 
      1  -0.641820D+00  0.994091D-02  0.278239D+01 -0.311202D+00 -0.573904D+00
      2  -0.511642D+00  0.278239D+01  0.273760D+01 -0.103343D+01 -0.471034D-01
      3   0.594959D+00 -0.311202D+00 -0.103343D+01 -0.130984D+00  0.729210D+00
                71            72            73            74            75 
      1  -0.471034D-01  0.729210D+00  0.250018D+01  0.129329D+01  0.631164D+00
      2  -0.110145D+01  0.123558D+01  0.129329D+01  0.178322D+01 -0.196002D+00
      3   0.123558D+01 -0.731850D+00  0.631164D+00 -0.196002D+00  0.902503D+00
                76            77            78            79            80 
      1   0.168177D+01 -0.870423D+00 -0.714993D+00  0.117121D+01 -0.373053D+00
      2  -0.870423D+00  0.611551D+01  0.123641D+01 -0.373053D+00  0.176195D+01
      3  -0.714993D+00  0.123641D+01  0.661342D+00 -0.336738D+00  0.156870D+01
                81            82            83            84            85 
      1  -0.336738D+00 -0.765846D+01 -0.146645D+01 -0.689210D+00  0.707537D+00
      2   0.156870D+01 -0.146645D+01 -0.153603D+01 -0.552559D-01 -0.509811D+00
      3   0.114140D+01 -0.689210D+00 -0.552559D-01 -0.223201D+00  0.373004D+00
                86            87            88            89            90 
      1  -0.509811D+00  0.373004D+00 -0.127309D+01  0.619694D-01  0.353647D-01
      2  -0.713478D+01 -0.272152D+00  0.619694D-01 -0.710956D+00 -0.196686D+01
      3  -0.272152D+00 -0.110525D+01  0.353647D-01 -0.196686D+01 -0.501364D+00
                91            92            93            94            95 
      1  -0.184053D+01 -0.263601D+00 -0.108537D+01 -0.468865D+00  0.172927D+00
      2  -0.263601D+00 -0.286968D+00 -0.102924D+00  0.172927D+00 -0.505791D+00
      3  -0.108537D+01 -0.102924D+00 -0.162032D+01 -0.301182D+00 -0.116412D+01
                96            97            98            99           100 
      1  -0.301182D+00 -0.150127D+01 -0.315677D+00 -0.104237D+01  0.194157D+01
      2  -0.116412D+01 -0.315677D+00 -0.176844D+01 -0.550616D+00 -0.516240D+00
      3  -0.101710D+01 -0.104237D+01 -0.550616D+00 -0.717868D+01  0.110099D+01
               101           102           103           104           105 
      1  -0.516240D+00  0.110099D+01 -0.654596D+00 -0.105779D+00 -0.281254D+00
      2   0.126340D+00 -0.159818D+00 -0.105779D+00 -0.561518D+00  0.118595D+01
      3  -0.159818D+00  0.157454D+01 -0.281254D+00  0.118595D+01 -0.110587D+01
               106           107           108           109           110 
      1   0.155841D+01 -0.232190D+00  0.128522D+01  0.876107D+01 -0.415651D+00
      2  -0.232190D+00  0.162111D+01 -0.755925D+00 -0.415651D+00  0.138929D+01
      3   0.128522D+01 -0.755925D+00  0.707601D+01  0.468680D+00  0.182816D+00
               111           112           113           114           115 
      1   0.468680D+00 -0.515044D+00  0.329081D+00 -0.403453D-01  0.121127D+01
      2   0.182816D+00  0.329081D+00 -0.172271D+01  0.509476D-01 -0.799449D-01
      3   0.383155D+00 -0.403453D-01  0.509476D-01 -0.537209D+00  0.198020D-02
               116           117           118           119           120 
      1  -0.799449D-01  0.198020D-02  0.142712D+01  0.127821D+01 -0.144395D+00
      2   0.294799D+00 -0.535446D+00  0.127821D+01  0.591659D+00  0.127593D+00
      3  -0.535446D+00  0.821781D-01 -0.144395D+00  0.127593D+00  0.578667D+00
               121           122           123           124           125 
      1   0.378500D+01  0.999157D+00  0.459663D+00 -0.436934D+00  0.118102D+00
      2   0.999157D+00  0.440940D+01 -0.340994D+00  0.118102D+00 -0.409331D+00
      3   0.459663D+00 -0.340994D+00  0.825066D+00  0.570560D+00  0.441195D+00
               126           127           128           129           130 
      1   0.570560D+00 -0.239565D+01  0.550887D+00  0.592847D+00  0.212787D+01
      2   0.441195D+00  0.550887D+00 -0.227510D+01  0.698161D-01 -0.687565D+00
      3   0.913495D-01  0.592847D+00  0.698161D-01 -0.568996D+00 -0.231748D+00
               131           132           133           134           135 
      1  -0.687565D+00 -0.231748D+00  0.754158D+00 -0.699024D-01 -0.596570D-01
      2   0.494948D+01 -0.408547D-03 -0.699024D-01  0.557461D+00  0.744513D+00
      3  -0.408547D-03  0.116739D+01 -0.596570D-01  0.744513D+00 -0.536018D-02
               136           137           138           139           140 
      1  -0.458771D+01  0.765852D+00 -0.418810D+00  0.835830D+00 -0.991316D+00
      2   0.765852D+00 -0.346996D+01 -0.268808D+00 -0.991316D+00  0.112836D+00
      3  -0.418810D+00 -0.268808D+00 -0.135646D+01  0.405488D-01 -0.332107D+00
               141           142           143           144 
      1   0.405488D-01 -0.141618D+01  0.628325D-01 -0.545996D+00
      2  -0.332107D+00  0.628325D-01 -0.125359D+01  0.379335D+00
      3   0.274498D+00 -0.545996D+00  0.379335D+00 -0.404466D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.310741D+00 -0.190547D+01  0.131887D+01 -0.353369D+01  0.269517D+01
      2   0.332991D+01 -0.296809D+01 -0.439601D+01 -0.443043D+01  0.530087D+00
      3  -0.448271D+00 -0.388461D+01  0.204640D+01 -0.679912D+01 -0.542743D+01
                 6             7             8             9            10 
      1   0.742258D+01 -0.354872D+00  0.950439D+01 -0.272881D+01  0.191573D+00
      2   0.724908D-01 -0.133579D+02  0.224652D+01 -0.451236D+01 -0.173876D+00
      3   0.175436D+01  0.448980D+01  0.258103D+01 -0.139906D+01  0.701635D+01
                11            12            13            14            15 
      1   0.212330D+00 -0.486086D+00  0.592817D-01  0.189567D+00 -0.100993D+02
      2   0.622021D+00  0.298862D+01  0.897852D+00  0.863813D+00 -0.183215D+01
      3  -0.975674D+00 -0.920343D+00  0.180397D+02  0.173886D+02 -0.998989D+00
                16            17            18            19            20 
      1   0.146221D+01 -0.435803D+00  0.220364D+01  0.612962D+00  0.706457D+00
      2  -0.262652D+01 -0.527497D+01  0.208559D+01  0.853174D+00  0.572736D+00
      3  -0.280941D+01 -0.114175D+01  0.505314D+01 -0.258413D+01 -0.921527D+01
                21            22            23            24            25 
      1  -0.591679D+00  0.749193D+00 -0.153949D+01 -0.215330D+01  0.163387D+01
      2   0.883077D+01  0.765899D+00  0.190800D+01 -0.142210D+01  0.490984D+01
      3  -0.490192D+00 -0.777654D+00  0.128891D+02 -0.260545D+01 -0.100498D+01
                26            27            28            29            30 
      1   0.168829D+01  0.406605D+00  0.524649D-01  0.124170D+01  0.189764D+01
      2  -0.145190D+01  0.358997D+01 -0.275924D+01  0.997360D+00  0.345804D+01
      3  -0.400212D+01 -0.171389D+01  0.205042D+00 -0.337960D+01 -0.532250D-01
                31            32            33            34            35 
      1   0.321769D+01  0.139163D+00 -0.208844D+01 -0.160714D+01  0.252406D+01
      2   0.251396D+01 -0.449140D+00 -0.176850D+01 -0.299401D+01  0.880038D+00
      3   0.476823D+01  0.176641D+01 -0.105574D+01 -0.134903D+01 -0.348220D+00
                36            37            38            39            40 
      1  -0.159351D+01 -0.134314D+00  0.203625D+01 -0.156880D+01  0.107459D+01
      2   0.345319D+01 -0.148083D+01 -0.930006D+00  0.287772D+01 -0.243047D+01
      3  -0.156139D+00  0.125744D+01 -0.175936D+01 -0.896490D-01  0.613272D+01
                41            42            43            44            45 
      1   0.186384D-01 -0.181894D+01  0.953332D+00  0.206613D+01  0.208338D+01
      2  -0.796298D+00  0.117769D+01 -0.360000D+01 -0.192232D+01  0.331186D+01
      3   0.702921D+00  0.556741D+00  0.207148D+01 -0.814839D+00  0.600628D+00
                46            47            48            49            50 
      1  -0.146308D+00 -0.495510D+01 -0.162505D+01 -0.378620D+01 -0.279959D+01
      2   0.372257D+01  0.281993D+01 -0.770617D+01  0.394100D+01  0.170625D+01
      3  -0.503723D+01  0.721463D+01 -0.117663D+01  0.371596D+01 -0.465036D+01
                51            52            53            54            55 
      1   0.534500D+01  0.186347D+01  0.123772D+02  0.240212D+01 -0.913790D+00
      2   0.245559D+01 -0.129665D+02 -0.202763D+01 -0.536700D+01  0.571556D+00
      3   0.180502D+01 -0.220392D+01  0.525702D+01 -0.789008D+00  0.954461D+01
                56            57            58            59            60 
      1   0.228689D+01  0.666431D+00  0.102002D+01 -0.529665D+00 -0.337873D+01
      2  -0.624817D+00  0.129370D+02 -0.114951D+01 -0.664343D-01 -0.226402D+01
      3  -0.196699D+02  0.591451D+00 -0.305135D+01  0.103942D+02 -0.750137D+00
                61            62            63            64            65 
      1  -0.255836D+01  0.158333D+01 -0.947817D+00  0.179638D+01 -0.204380D+01
      2   0.480178D+01  0.662602D+00  0.509457D+01  0.171405D+01 -0.102401D-01
      3   0.104751D+01 -0.421814D+01  0.335905D+01  0.130055D+02 -0.961918D+01
                66            67            68            69            70 
      1  -0.328148D+01 -0.252523D+01 -0.685311D+00 -0.341401D+01 -0.137451D+01
      2   0.384514D+01 -0.160250D+00 -0.196950D+00  0.189130D+01 -0.202419D+01
      3  -0.169375D+01 -0.319648D+01  0.153579D+01  0.187051D+01 -0.311789D+01
                71            72            73            74            75 
      1   0.307293D+01  0.894357D+00 -0.122058D+01 -0.670154D+00 -0.796074D+00
      2   0.118528D+01 -0.101609D+01 -0.184086D+01 -0.160510D+01  0.123246D+01
      3   0.156881D+01  0.131556D+00  0.121708D+02  0.656335D+01  0.258239D+01
                76            77            78            79            80 
      1  -0.659607D-02  0.269557D+01 -0.580293D+01 -0.135903D+00  0.142797D+01
      2  -0.401895D+00 -0.759426D+00 -0.223196D+01 -0.331545D+01 -0.302207D+00
      3   0.824105D+01  0.723518D+01  0.200880D+00  0.426029D+01  0.344101D+01
                81            82            83            84            85 
      1  -0.157545D+01 -0.140686D+01  0.108575D+01 -0.798139D+00  0.169896D+00
      2  -0.174994D+01  0.504808D-01 -0.136891D+00  0.356860D+01 -0.103991D+01
      3   0.178883D+01  0.217272D+02 -0.558462D+01  0.160738D+01  0.466774D+01
                86            87            88            89            90 
      1  -0.106876D+00 -0.738526D+01 -0.198470D+01 -0.223043D+01 -0.177711D+01
      2   0.187449D+00  0.273214D+00 -0.116163D+01  0.401931D+01  0.134336D+01
      3  -0.809234D+01 -0.806648D+00  0.440091D+01 -0.191242D+01 -0.324767D+01
                91            92            93            94            95 
      1   0.882760D+00  0.933995D+00  0.618403D+00  0.744170D+00  0.802854D+00
      2  -0.228264D+01 -0.504103D+00 -0.524113D+00 -0.121933D+01 -0.118080D+01
      3  -0.552316D+00 -0.334779D+00 -0.265147D+00  0.953591D+00  0.243539D+00
                96            97            98            99           100 
      1   0.554175D+00  0.583727D+00  0.338406D+01  0.210732D+01 -0.949470D+00
      2  -0.572033D+00 -0.351693D+01 -0.283681D+00 -0.420967D+01 -0.213909D+01
      3   0.731351D+00 -0.260120D+00  0.506918D+00 -0.248151D+00  0.178801D+00
               101           102           103           104           105 
      1   0.815954D+00 -0.718414D+00  0.666817D+00 -0.134218D+01  0.518026D+00
      2   0.489058D+00 -0.448702D+00  0.123129D+01 -0.857233D+00  0.581149D+00
      3  -0.768739D+00  0.292516D+00  0.847175D+00 -0.679330D+00  0.726768D+00
               106           107           108           109           110 
      1  -0.798122D+00  0.312410D+01 -0.254230D+01  0.133787D+01 -0.361603D+00
      2  -0.384455D+01  0.722128D+00 -0.407468D+01  0.239461D+00 -0.199966D+00
      3  -0.129493D+00  0.351735D+00 -0.190618D+00 -0.276580D+02  0.687260D+01
               111           112           113           114           115 
      1   0.114699D+01 -0.484608D+00  0.841054D-01 -0.581955D+00  0.425706D+00
      2  -0.276877D+01  0.278158D-01 -0.121705D+00  0.323739D+00 -0.291814D+01
      3  -0.133478D+01  0.429763D+01 -0.209879D+01  0.196130D+00 -0.375233D+01
               116           117           118           119           120 
      1   0.455636D+00  0.296775D+00  0.400580D+00 -0.491610D+00 -0.790612D+00
      2   0.410855D+00 -0.247130D+00 -0.291014D+00  0.317180D-01  0.642999D+00
      3   0.108351D+01 -0.265616D+00 -0.443888D+01 -0.328634D+00 -0.624049D+00
               121           122           123           124           125 
      1  -0.522980D-01  0.202500D+01 -0.396683D+00  0.172187D+00  0.104980D+01
      2   0.747329D+00 -0.162657D+01  0.331161D+01  0.111756D+00  0.192125D+01
      3  -0.751536D+00 -0.193376D+02  0.204125D+01 -0.147644D+00  0.253517D+01
               126           127           128           129           130 
      1  -0.257139D+00 -0.300116D+01  0.144962D+01  0.198463D+01  0.124412D+01
      2  -0.412218D+00 -0.106036D+01  0.291820D+00 -0.769080D+00  0.576765D+00
      3  -0.119306D+01 -0.115791D+02  0.504600D+01  0.268547D+01  0.861057D+01
               131           132           133           134           135 
      1  -0.221306D+01 -0.294888D+01  0.399865D+00 -0.117031D+01 -0.617072D+00
      2  -0.281551D+00  0.762652D+00 -0.117959D+01  0.446881D+00  0.761044D+00
      3  -0.837378D+01 -0.107623D+01  0.357337D+01 -0.153991D+01 -0.104490D+01
               136           137           138           139           140 
      1   0.218714D+01 -0.341212D+00  0.302338D+01  0.217779D+00  0.812539D+00
      2   0.277178D+01  0.908145D+00  0.281967D+01  0.129896D+00  0.114050D+01
      3  -0.128162D+02 -0.905996D+01 -0.291152D+01 -0.249174D+01 -0.348782D+01
               141           142           143           144 
      1  -0.359435D+00  0.132773D+01  0.462430D+00  0.139869D+01
      2  -0.758669D+00  0.475613D+00 -0.124043D+01  0.724629D+00
      3  -0.136493D+01 -0.506854D+01 -0.334780D+01 -0.685094D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.185625D+02  0.224054D+01 -0.402213D+00 -0.617509D+00  0.232011D+02
      2   0.107724D+02 -0.486197D+01  0.220766D+01  0.770643D+00 -0.294423D+02
      3   0.779004D+01  0.262143D+01 -0.180544D+01 -0.153134D+00  0.624119D+01
      4  -0.561333D+01  0.101781D+01 -0.930614D+00 -0.487872D+01  0.858970D+01
      5  -0.212767D+01 -0.189083D+01 -0.753204D+01  0.552019D+00  0.567978D+00
      6   0.485858D+00 -0.192758D+00 -0.448961D+01  0.752648D-02  0.172115D+01
                 6             7             8             9            10 
      1  -0.279178D+01 -0.754394D+01 -0.536353D+01 -0.293910D+01 -0.281100D+01
      2  -0.404778D-01  0.548809D+01  0.418623D+01 -0.611448D+01  0.638986D+01
      3   0.283226D+01  0.205585D+01  0.117731D+01  0.905358D+01 -0.357886D+01
      4  -0.958449D+00  0.619807D+00 -0.157653D+01 -0.889140D+00 -0.414363D+01
      5  -0.238963D+01  0.310144D+01  0.109162D+01 -0.478377D+01 -0.210581D-01
      6  -0.856906D+01 -0.660482D+00  0.208433D+01  0.347638D+01 -0.100106D+01
                11            12            13            14            15 
      1  -0.909717D+01  0.732476D+00 -0.137399D+02 -0.357515D+02  0.124579D+01
      2   0.719378D+01 -0.760897D+00  0.807951D+01  0.528038D+02 -0.805947D+00
      3   0.190339D+01  0.284214D-01  0.566044D+01 -0.170523D+02 -0.439845D+00
      4   0.152090D+02 -0.775225D+00  0.148861D+02 -0.278721D+02  0.131797D+01
      5  -0.294875D+00  0.491035D+01 -0.167641D+01 -0.237958D+00 -0.377621D+01
      6  -0.376777D+00  0.129615D+01 -0.819557D+00 -0.270577D+01  0.150953D+02
                16            17            18            19            20 
      1   0.257200D+01  0.380126D+01 -0.970231D+01  0.643069D+02  0.100493D+01
      2  -0.222261D+01 -0.257841D+01  0.702258D+01 -0.386203D+02 -0.266879D+00
      3  -0.349390D+00 -0.122285D+01  0.267973D+01 -0.256866D+02 -0.738046D+00
      4  -0.118846D+01  0.147230D+01 -0.769877D+01  0.555667D+00  0.101528D+02
      5   0.382067D+01 -0.848529D+01  0.240675D+01  0.441236D+01  0.129728D+01
      6   0.405658D+00  0.139337D+02 -0.412338D+01  0.829800D+00  0.384091D+00
                21            22            23            24            25 
      1   0.247008D+01 -0.776717D+01  0.484584D+01 -0.583277D+00  0.681904D+01
      2  -0.254254D+01  0.365724D+01 -0.929694D+00  0.828275D+00 -0.633518D+01
      3   0.724601D-01  0.410992D+01 -0.391615D+01 -0.244998D+00 -0.483862D+00
      4   0.104899D+01  0.128398D+02 -0.143535D+02  0.327333D+01  0.164396D+01
      5   0.172252D+02 -0.459643D+00  0.336158D+01 -0.705446D+00  0.193740D+02
      6   0.133337D+01  0.299391D+00  0.796099D-01  0.420488D+01 -0.127647D+01
                26            27            28            29            30 
      1   0.127650D+01  0.102201D+02  0.376734D-02  0.549940D+01  0.138864D+01
      2  -0.113993D+00 -0.113685D+02  0.159911D+01 -0.520085D+01  0.367207D+01
      3  -0.116251D+01  0.114836D+01 -0.160288D+01 -0.298549D+00 -0.506072D+01
      4   0.339527D+01 -0.469741D+00 -0.182372D+01 -0.265747D+01 -0.289964D-02
      5   0.149023D+01  0.741509D+01 -0.116471D+01  0.178351D+01  0.578800D+00
      6   0.365398D+01 -0.232536D+00 -0.131695D+01  0.150328D+01 -0.326800D+01
                31            32            33            34            35 
      1   0.722379D+00 -0.109381D+01  0.395802D+01  0.229544D+01  0.247597D+01
      2   0.882306D+00 -0.177520D+01  0.303391D+01  0.327044D+01 -0.752877D+00
      3  -0.160468D+01  0.286901D+01 -0.699192D+01 -0.556588D+01 -0.172309D+01
      4  -0.807703D+01 -0.729087D+01  0.208083D+01 -0.169821D+01  0.287368D+01
      5   0.111041D+01  0.137073D+01 -0.345305D+01  0.166947D+01  0.194345D+01
      6   0.164783D+01  0.151379D+01 -0.410155D+01  0.318680D+01  0.110722D+01
                36            37            38            39            40 
      1   0.772661D+01  0.133283D+01 -0.648733D+01  0.216351D+01 -0.673672D-01
      2   0.732391D+01 -0.115773D+01  0.444518D+01  0.193978D+01 -0.222379D+01
      3  -0.150505D+02 -0.175103D+00  0.204215D+01 -0.410329D+01  0.229116D+01
      4   0.498854D+01  0.777038D-01 -0.295656D+01 -0.344275D+00 -0.732105D+01
      5   0.679165D+00 -0.146736D+00 -0.141840D+01 -0.981124D-01 -0.111541D+01
      6  -0.104057D+01  0.117100D+01  0.694583D+00  0.382761D+01  0.309615D+01
                41            42            43            44            45 
      1  -0.752757D+00 -0.378816D+01  0.434285D+01 -0.264457D+01  0.795871D+01
      2  -0.231760D+01 -0.301754D+01  0.253744D+01 -0.113603D+01  0.618171D+01
      3   0.307036D+01  0.680570D+01 -0.688029D+01  0.378060D+01 -0.141404D+02
      4   0.219898D+01  0.244691D+01  0.248387D+00  0.179678D+01 -0.576964D+01
      5   0.423945D+00  0.356780D+01  0.941753D+00 -0.229679D+01  0.899499D+00
      6  -0.187665D+01 -0.407813D+01 -0.311770D+01  0.149240D+01  0.860478D+00
                46            47            48            49            50 
      1  -0.439953D+02  0.470266D+01 -0.259539D+01  0.188568D+02  0.129454D+02
      2   0.288578D+02  0.259580D-01  0.506708D+01 -0.124189D+02 -0.162865D+02
      3   0.151375D+02 -0.472862D+01 -0.247170D+01 -0.643792D+01  0.334108D+01
      4   0.831197D+01 -0.107792D+02  0.275997D+00  0.216213D+01  0.324135D+01
      5  -0.572269D+01  0.142637D+01 -0.119259D+02  0.289987D+01  0.953377D+00
      6   0.148614D+00 -0.705031D+00  0.430654D+01  0.147147D+01 -0.126343D+00
                51            52            53            54            55 
      1   0.384189D+01 -0.990067D+01  0.505092D+01 -0.720987D+01  0.945665D+02
      2  -0.101931D+01  0.748740D+01 -0.259925D+01 -0.219025D+01 -0.570046D+02
      3  -0.282258D+01  0.241328D+01 -0.245168D+01  0.940012D+01 -0.375619D+02
      4   0.982141D+00  0.189390D+01 -0.346355D+01  0.253061D+01 -0.564624D+01
      5   0.597282D+01  0.105725D+01  0.111400D+01 -0.689590D+01  0.907434D+01
      6  -0.769347D+01  0.420169D-01  0.263634D+01 -0.230846D+01 -0.989448D+00
                56            57            58            59            60 
      1  -0.108511D+02  0.542332D+01 -0.118793D+02  0.911173D+01 -0.155699D+01
      2   0.767188D+01 -0.533901D+01  0.862518D+01 -0.195269D+01  0.131775D+01
      3   0.317923D+01 -0.843084D-01  0.325412D+01 -0.715903D+01  0.239238D+00
      4   0.233740D+02 -0.446564D+00  0.190720D+02 -0.877034D+01  0.235472D+01
      5  -0.139997D+01  0.225999D+02 -0.204554D+01  0.233279D+01 -0.530707D+01
      6   0.141685D+01 -0.144152D+01  0.120263D+01 -0.142966D+00  0.554890D+01
                61            62            63            64            65 
      1   0.904135D+01 -0.271808D+01  0.150775D+02  0.141558D+02 -0.910394D+01
      2  -0.873744D+01  0.184650D+01 -0.146389D+02 -0.646296D+01  0.161804D+02
      3  -0.303911D+00  0.871584D+00 -0.438642D+00 -0.769282D+01 -0.707648D+01
      4  -0.263800D+01  0.459509D+01 -0.169652D+01  0.161099D+02  0.145075D+02
      5   0.253681D+02 -0.337605D+01  0.114850D+02 -0.253559D+01 -0.154455D+01
      6   0.155914D+01  0.424953D+01  0.310495D+00 -0.315317D+01 -0.352336D+01
                66            67            68            69            70 
      1   0.614606D+00 -0.520644D+01 -0.258995D+01  0.130603D+01 -0.574800D+00
      2  -0.923838D+00  0.858509D+01  0.931555D+01 -0.338736D+01  0.143393D+01
      3   0.309232D+00 -0.337865D+01 -0.672560D+01  0.208133D+01 -0.859128D+00
      4  -0.302835D+01  0.138013D+02  0.184441D+02 -0.212310D+01 -0.166480D+01
      5   0.755293D+01 -0.963735D+00 -0.409532D+01  0.369596D+01  0.553558D+01
      6   0.533818D+01 -0.179505D+01 -0.511818D+01  0.942702D+01  0.349071D+01
                71            72            73            74            75 
      1   0.441722D+01 -0.434178D+01 -0.365411D+01 -0.283361D+01 -0.255498D+01
      2  -0.318400D+01 -0.737712D+00  0.355312D+01  0.199711D+01  0.780795D-01
      3  -0.123322D+01  0.507949D+01  0.100988D+00  0.836498D+00  0.247690D+01
      4  -0.271228D+01  0.465612D+01  0.329760D+01  0.519513D+00  0.204481D+01
      5   0.304181D+01 -0.319569D+01 -0.226238D+01  0.112993D+00  0.471050D+01
      6   0.782337D+01 -0.374831D+01  0.319727D+01 -0.105363D+01  0.162601D+00
                76            77            78            79            80 
      1  -0.192251D+01 -0.180953D+02 -0.203925D+01 -0.208499D+01 -0.516705D+01
      2  -0.639241D+00  0.283789D+02  0.287243D+01  0.135178D+01  0.411819D+01
      3   0.256175D+01 -0.102837D+02 -0.833177D+00  0.733212D+00  0.104886D+01
      4   0.127498D+02 -0.183557D+02 -0.430503D+01  0.444053D+01 -0.568421D+01
      5   0.190067D+01 -0.369740D+01 -0.538117D+01  0.456033D+01 -0.336030D+01
      6  -0.332761D+01  0.742924D+01  0.120693D+02 -0.171137D+01  0.902163D+01
                81            82            83            84            85 
      1  -0.682438D+01  0.991110D+01  0.379106D+01  0.134388D+01 -0.287615D+01
      2   0.143935D+01 -0.250533D+01 -0.109324D+01 -0.130253D+01  0.313597D+01
      3   0.538503D+01 -0.740577D+01 -0.269783D+01 -0.413518D-01 -0.259821D+00
      4  -0.346716D+01  0.197190D+02  0.198986D+02  0.142255D+01  0.838482D+01
      5  -0.403577D+01  0.103736D+01  0.260793D+00  0.677996D+01 -0.790459D+00
      6   0.532829D+01  0.299822D+01 -0.232973D+00  0.447991D+00 -0.178412D+01
                86            87            88            89            90 
      1  -0.235876D+02 -0.182024D+01  0.143820D+01 -0.265727D+01 -0.772978D+01
      2   0.369429D+02  0.101314D+01 -0.136897D+01  0.165040D+01  0.462850D+01
      3  -0.133553D+02  0.807098D+00 -0.692306D-01  0.100687D+01  0.310128D+01
      4   0.191716D+02 -0.406413D+00  0.234438D+01  0.182260D+01  0.672104D+01
      5  -0.769452D+00  0.153367D+01  0.416483D+01  0.665896D+01  0.143969D+01
      6   0.945619D+00  0.132340D+02 -0.626238D-01  0.121805D+02  0.272946D+01
                91            92            93            94            95 
      1  -0.153118D+01 -0.946460D+00 -0.312459D+01 -0.151861D+01 -0.245980D+01
      2  -0.348038D+01 -0.314499D+00 -0.214575D+01 -0.485394D+00 -0.963073D+00
      3   0.501156D+01  0.126096D+01  0.527034D+01  0.200401D+01  0.342287D+01
      4  -0.114589D+01  0.120621D+01 -0.736381D+00  0.233777D+01 -0.428382D+00
      5   0.168606D+01  0.153664D+00  0.470680D+01  0.440461D+00 -0.309043D+00
      6   0.264907D+00  0.768193D+00 -0.245062D+00  0.700407D+00  0.128097D+01
                96            97            98            99           100 
      1  -0.210819D+01 -0.324126D+01 -0.426811D+00 -0.171787D+02 -0.212022D+01
      2  -0.272951D+01 -0.255442D+01 -0.251459D+01 -0.146104D+02 -0.282440D+01
      3   0.483770D+01  0.579569D+01  0.294140D+01  0.317892D+02  0.494462D+01
      4  -0.954686D+00 -0.518649D+00 -0.246665D+01 -0.119887D+01  0.143800D+01
      5  -0.854462D-01  0.436764D+01 -0.303097D+00 -0.230546D+01  0.168033D+01
      6   0.534749D+01 -0.301631D+00  0.449798D+01 -0.793459D+00 -0.259211D+00
               101           102           103           104           105 
      1   0.129173D+01 -0.323403D+01  0.182636D+01 -0.234441D+01  0.230186D+01
      2   0.158447D+00 -0.186328D+01  0.344185D+00 -0.123593D+01  0.273639D+01
      3  -0.145018D+01  0.509731D+01 -0.217055D+01  0.358034D+01 -0.503825D+01
      4   0.174474D+01  0.737395D+00  0.219163D+01  0.904767D+00 -0.117123D+01
      5  -0.296760D+00  0.480143D+01 -0.638488D+00 -0.179519D+00  0.268115D+00
      6   0.859034D+00  0.114185D+00  0.788051D+00 -0.151018D+01  0.524849D+01
               106           107           108           109           110 
      1  -0.464726D+01  0.992003D+00 -0.177046D+02 -0.114889D+02  0.399485D+01
      2  -0.230259D+01  0.288931D+01 -0.134654D+02  0.581584D+01 -0.483884D+01
      3   0.694985D+01 -0.388131D+01  0.311699D+02  0.567302D+01  0.843994D+00
      4   0.844597D+00 -0.222668D+01  0.193173D+01 -0.159517D+02 -0.115700D+02
      5   0.426070D+01  0.242054D+00 -0.209168D+01 -0.100427D+01  0.107153D+00
      6   0.686842D+00  0.447649D+01  0.812243D+00 -0.245213D+01 -0.608513D+00
               111           112           113           114           115 
      1   0.829608D-01  0.200345D+01 -0.592483D+01  0.899558D-01 -0.118542D+01
      2  -0.459170D-01 -0.185671D+01  0.801813D+01 -0.180913D+00  0.603167D+00
      3  -0.370437D-01 -0.146737D+00 -0.209329D+01  0.909574D-01  0.582256D+00
      4  -0.947950D+00  0.820735D+00  0.164003D+01  0.964342D-01 -0.208119D+01
      5  -0.502612D+01  0.131701D+00 -0.338903D+00  0.548789D+00  0.247469D+00
      6  -0.146103D+01  0.709888D-01 -0.119170D+00  0.173737D+01 -0.269831D+00
               116           117           118           119           120 
      1   0.491175D+00 -0.237759D+01  0.631539D+01  0.634801D+01 -0.653946D+00
      2  -0.755641D+00  0.888561D+00 -0.221751D+01 -0.259493D+01  0.858917D+00
      3   0.264466D+00  0.148903D+01 -0.409787D+01 -0.375308D+01 -0.204970D+00
      4  -0.140854D+01  0.327010D+00  0.712047D+01  0.507473D+01  0.101669D-01
      5   0.720582D+00 -0.393531D+00 -0.913572D+00  0.213341D+00  0.185518D+01
      6   0.267859D+01 -0.381876D+00 -0.270637D+00  0.296458D+00  0.114122D+01
               121           122           123           124           125 
      1   0.196561D+02  0.336800D+01  0.166089D+01 -0.282732D+01 -0.151732D-01
      2  -0.109123D+02 -0.488095D+00 -0.172123D+01  0.168334D+01 -0.168306D-01
      3  -0.874383D+01 -0.287990D+01  0.603317D-01  0.114398D+01  0.320038D-01
      4   0.742722D+01  0.218322D+02 -0.980503D+00  0.346300D+00 -0.159229D+01
      5   0.208199D+01 -0.138182D+01  0.512328D+01  0.360964D+01  0.281745D+01
      6   0.119221D+01  0.874121D+00  0.365843D+00  0.549186D+00  0.164756D+01
               126           127           128           129           130 
      1   0.111956D+01 -0.480779D+01  0.785078D+01 -0.998778D+00  0.591962D+01
      2  -0.124093D+01  0.417088D+01 -0.108683D+02 -0.391514D+00 -0.558341D+01
      3   0.121369D+00  0.636906D+00  0.301747D+01  0.139029D+01 -0.336207D+00
      4   0.290857D+01 -0.594918D+01 -0.913785D+00  0.149766D+01  0.437518D+01
      5  -0.273695D+00  0.108032D+01 -0.669094D+00 -0.148211D+01 -0.982746D+00
      6   0.476050D+00  0.160631D+01  0.222003D+01 -0.210504D+01 -0.425723D+00
               131           132           133           134           135 
      1  -0.164270D+02  0.157155D+00  0.214573D+01 -0.189412D+01 -0.256822D+01
      2   0.246942D+02  0.796139D+00 -0.135119D+01  0.296918D+01  0.255127D+01
      3  -0.826724D+01 -0.953295D+00 -0.794538D+00 -0.107506D+01  0.169407D-01
      4   0.375100D+01 -0.522168D+00  0.129737D+01  0.155227D+01  0.594427D-01
      5   0.730028D+00  0.185193D+01  0.960350D+00  0.661562D+00  0.126583D+01
      6  -0.167000D+01  0.458678D+01 -0.456131D+00  0.409432D+01  0.204986D+00
               136           137           138           139           140 
      1   0.135967D+02  0.261803D+01  0.261060D+01 -0.340092D+01  0.370993D+01
      2  -0.449476D+01 -0.764451D+01 -0.141387D+00  0.619719D-01 -0.107268D+01
      3  -0.910190D+01  0.502648D+01 -0.246921D+01  0.333894D+01 -0.263725D+01
      4  -0.163397D+02  0.139394D+02 -0.318071D+00  0.564166D+01 -0.268616D+01
      5  -0.622490D+00  0.166660D+01  0.351909D+01 -0.444685D+00  0.126900D+01
      6  -0.125937D+01 -0.144947D+01 -0.495759D+01  0.125022D+00 -0.106804D+01
               141           142           143           144 
      1   0.454817D+00  0.171800D+01  0.271007D+01  0.102320D+01
      2  -0.352781D+00 -0.616269D+00 -0.367967D+01 -0.111998D+01
      3  -0.102036D+00 -0.110173D+01  0.969604D+00  0.967855D-01
      4   0.131884D+01 -0.388993D+01  0.362275D+01 -0.293324D+01
      5  -0.146435D+01  0.337414D+01 -0.194340D+01  0.834070D+00
      6   0.752703D+00 -0.204733D+01  0.218939D+01 -0.206256D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.132091D+01      0.335741D+01      0.111991D+02
   x          0.793648D+00      0.201725D+01      0.672883D+01
   y          0.105583D+01      0.268365D+01      0.895170D+01
   z         -0.116624D-01     -0.296428D-01     -0.988779D-01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.669353D+02      0.991878D+01      0.110361D+02
   aniso      0.299382D+02      0.443638D+01      0.493614D+01
   xx         0.808764D+02      0.119846D+02      0.133347D+02
   yx         0.114689D-01      0.169951D-02      0.189096D-02
   yy         0.721132D+02      0.106861D+02      0.118899D+02
   zx         0.228734D+01      0.338950D+00      0.377132D+00
   zy        -0.423095D+00     -0.626962D-01     -0.697589D-01
   zz         0.478162D+02      0.708562D+01      0.788382D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.724522D+02      0.107363D+02      0.119458D+02
   aniso      0.301802D+02      0.447224D+01      0.497604D+01
   xx         0.864134D+02      0.128051D+02      0.142477D+02
   yx         0.167828D-01      0.248695D-02      0.276711D-02
   yy         0.777673D+02      0.115239D+02      0.128221D+02
   zx         0.244961D+01      0.362995D+00      0.403886D+00
   zy        -0.492776D+00     -0.730219D-01     -0.812478D-01
   zz         0.531759D+02      0.787986D+01      0.876753D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.48815649         -1.85396287          0.89216674
     8          2.95920301         -2.55521649         -1.23745182
     8          3.34293092         -3.05261297          2.90597208
     6          0.83814839          0.44583491          1.41492448
     6         -1.73062208          0.20630954          0.00596100
     6         -1.60335814          1.25212253         -2.70290523
     8         -3.04286996          2.91322072         -3.31187013
     8          0.45760161          0.63298813          4.04597858
     8         -3.55445576          1.56904693          1.36877920
     8          0.09045969          0.27990378         -4.24778223
     1          1.85692557          2.11313757          0.72126523
     1         -2.28252787         -1.78795564         -0.07485028
     1          1.21976619         -0.93469712         -3.36241776
     1          2.63364914         -2.21202011          4.39122487
     1         -1.19586185          1.39344146          4.28667708
     1         -4.20885744          2.82763477          0.18821163

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.132091D+01      0.335741D+01      0.111991D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.132091D+01      0.335741D+01      0.111991D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.669353D+02      0.991878D+01      0.110361D+02
   aniso      0.299382D+02      0.443638D+01      0.493614D+01
   xx         0.648832D+02      0.961469D+01      0.106978D+02
   yx        -0.149333D+02     -0.221289D+01     -0.246217D+01
   yy         0.606550D+02      0.898815D+01      0.100007D+02
   zx         0.258395D+01      0.382902D+00      0.426036D+00
   zy        -0.354179D+01     -0.524839D+00     -0.583962D+00
   zz         0.752676D+02      0.111535D+02      0.124099D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.724522D+02      0.107363D+02      0.119458D+02
   aniso      0.301802D+02      0.447224D+01      0.497604D+01
   xx         0.702158D+02      0.104049D+02      0.115770D+02
   yx        -0.150835D+02     -0.223514D+01     -0.248693D+01
   yy         0.662571D+02      0.981828D+01      0.109243D+02
   zx         0.251250D+01      0.372314D+00      0.414255D+00
   zy        -0.354320D+01     -0.525049D+00     -0.584195D+00
   zz         0.808837D+02      0.119857D+02      0.133359D+02

 ----------------------------------------------------------------------

 Test job not archived.
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 IT IS DOUBTED WHETHER A MAN EVER BRINGS HIS FACULTIES TO BEAR WITH THEIR FULL FORCE
 ON A SUBJECT UNTIL HE WRITES UPON IT.

                          -- CICERO
 Job cpu time:       0 days  5 hours 42 minutes 55.8 seconds.
 Elapsed time:       0 days  0 hours 43 minutes 15.5 seconds.
 File lengths (MBytes):  RWF=    252 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Wed Jul 28 19:59:03 2021.
